Comprehensive Macromolecular Structure Database

Data from 47 structures in the PHENIX library of MAD, SAD and MIR data sets were used along with 246 MAD and SAD structures from the Joint Center for Structural Genomics (JCSG; http://www.jcs.org). The structures from the PHENIX library included 1029B (PDB code 1n0e; Chen et al., 2004 ▶ ), 1038B (1lql; Choi et al., 2003 ▶ ), 1063B (1lfp; Shin et al., 2002 ▶ ), 1071B (1nf2; Shin, Roberts et al., 2003 ▶ ), 1102B (1l2f; Shin, Nguyen et al., 2003 ▶ ), 1167B (1s12; Shin et al., 2005 ▶ ), aep-transaminase (1m32; Chen et al., 2002 ▶ ), armadillo (3bct; Huber et al., 1997 ▶ ), calmodulin (1exr; Wilson & Brunger, 2000 ▶ ), cobd (1kus; Cheong et al., 2002 ▶ ), cp-synthase (1l1e; Huang et al., 2002 ▶ ), cyanase (1dw9; Walsh et al., 2000 ▶ ), epsin (1edu; Hyman et al., 2000 ▶ ), flr (1bkj; Tanner et al., 1996 ▶ ), fusion-complex (1sfc; Sutton et al., 1998 ▶ ), gene-5 (1vqb; Skinner et al., 1994 ▶ ), gere (1fse; Ducros et al., 2001 ▶ ), gpatase (1ecf; Muchmore et al., 1998 ▶ ), granulocyte (2gmf; Rozwarski et al., 1996 ▶ ), groEL (1oel; Braig et al., 1995 ▶ ), group2-intron (1kxk; Zhang & Doudna, 2002 ▶ ), hn-rnp (1ha1; Shamoo et al., 1997 ▶ ), ic-lyase (1f61; Sharma et al., 2000 ▶ ), insulin (2bn3; Nanao et al., 2005 ▶ ), lysozyme (unpublished results; CSHL Macromolecular Crystallo­graphy Course), mbp (1ytt; Burling et al., 1996 ▶ ), mev-kinase (1kkh; Yang et al., 2002 ▶ ), myoglobin (A. Gonzales, personal communication), nsf-d2 (1nsf; Yu et al., 1998 ▶ ), nsf-n (1qcs; Yu et al., 1999 ▶ ), p32 (1p32; Jiang et al., 1999 ▶ ), p9 (1bkb; Peat et al., 1998 ▶ ), pdz (1kwa; Daniels et al., 1998 ▶ ), penicillopepsin (3app; James & Sielecki, 1983 ▶ ), psd-95 (1jxm; Tavares et al., 2001 ▶ ), qaprtase (1qpo; Sharma et al., 1998 ▶ ), rab3a (1zbd; Ostermeier & Brunger, 1999 ▶ ), rh-dehalogenase (1bn7; Newman et al., 1999 ▶ ), rnase-p (1nz0; Kazantsev et al., 2003 ▶ ), rnase-s (1rge; Sevcik et al., 1996 ▶ ), rop (1f4n; Willis et al., 2000 ▶ ), s-hydrolase (1a7a; Turner et al., 1998 ▶ ), sec17 (1qqe; Rice & Brunger, 1999 ▶ ), synapsin (1auv; Esser et al., 1998 ▶ ), synaptotagmin (1dqv; Sutton et al., 1999 ▶ ), tryparedoxin (1qk8; Alphey et al., 1999 ▶ ), ut-synthase (1e8c; Gordon et al., 2001 ▶ ) and vmp ( l8w; Eicken et al., 2002 ▶ ).
The structures from the JCSG included PDB (Bernstein et al., 1977 ▶ ; Berman et al., 2000 ▶ ) entries 1o1x (Xu et al., 2004 ▶ ), 1vjf, 1vjr, 1vk4, 1vk8, 1vk9, 1vkd, 1vkn, 1vl0, 1vl5, 1vli, 1vlo, 1vly, 1vm8, 1vmg, 1vmi, 1vp8, 1vpm, 1vpz (Rife et al., 2005 ▶ ), 1vqr (Xu, Schwarzenbacher, McMullan et al., 2006 ▶ ), 1vqs, 1vqy, 1vqz, 1vr0 (DiDonato et al., 2006 ▶ ), 1vr3 (Xu, Schwarzenbacher, Krishna et al., 2006 ▶ ), 1vr5, 1vr8 (Xu, Krishna et al., 2006 ▶ ), 1vrm (Han et al., 2006 ▶ ), 1z82, 1z85, 1zbt, 1zej, 1zh8, 1zko, 1ztc, 1zx8 (Jin et al., 2006 ▶ ), 1zy9, 1zyb, 2a3n, 2aam, 2aml, 2ax3, 2b8n (Schwarzenbacher et al., 2006 ▶ ), 2etd, 2ets, 2evr, 2f4i, 2f4l, 2fg0, 2fg9, 2fna, 2ftr, 2fup, 2fur, 2g0w, 2gb5, 2gc9, 2gf6, 2gfg, 2ghr (Zubieta et al., 2007 ▶ ), 2gno, 2go7, 2gpi, 2gpj, 2grj, 2gvh, 2h1q, 2h1t, 2h9f, 2hcf, 2hh6, 2hhz, 2hi0, 2hq7, 2hq9, 2hr2, 2hsz, 2huh, 2hx1, 2hx5, 2hxv, 2i02, 2i8d, 2i9w, 2ig6, 2ii1, 2ilb, 2isb, 2it9, 2itb, 2nuj, 2o08, 2o2g, 2o2x, 2o2z, 2o3l, 2o62, 2oa2, 2oaf, 2oc6, 2od5, 2ogi, 2oh1, 2oh3, 2oik, 2ooj, 2ook, 2op5, 2opl, 2oqm, 2ord, 2osd, 2otm, 2ou3, 2ou5, 2ou6, 2own, 2oyo, 2ozg, 2ozj, 2p10, 2p1a, 2p7i, 2p8j, 2pbl, 2peb, 2pfw, 2pg4, 2pgc, 2pke, 2pn1, 2pq7, 2pr7, 2prr, 2prv, 2pv4, 2pv7, 2pwn, 2py6, 2pyq, 2pyx, 2q02, 2q04, 2q0t, 2q14, 2q3l, 2q78, 2q7x, 2q9k, 2q9r, 2qe6, 2qe9, 2qez, 2qg3, 2qhp, 2qj8, 2ql8, 2qml, 2qpx, 2qr6, 2qtp, 2qtq, 2qw5, 2qww, 2qwz, 2qyv, 2r01, 2r0x, 2r1i, 2r3b, 2r44, 2r4i, 2r9v, 2ra9, 2ras, 2rcc, 2rcd, 2rd9, 2rdc, 2re3, 2re7, 2rfp, 2rgq, 2rha, 2rhm, 2rij, 2ril, 2rkh, 3b5e, 3b5o, 3b77, 3b7f, 3b81, 3b8l, 3bb5, 3bb9, 3bcw, 3bdd and 3bde.