osmart@fuji01vm:~/erice_workshop/1pmq_tutorial$ fetch_PDB 1pmq ============================================================================ Copyright (C) 2014 by Global Phasing Limited All rights reserved. This software is proprietary to and embodies the confidential technology of Global Phasing Limited (GPhL). Possession, use, duplication or dissemination of the software is authorised only pursuant to a valid written licence from GPhL. ---------------------------------------------------------------------------- Contact: buster-develop@GlobalPhasing.com Program: fetch_PDB version <2014-03-31 11:37:17> ============================================================================ PDB = /home/osmart/erice_workshop/1pmq_tutorial/pdb1pmq.ent.gz CIF = /home/osmart/erice_workshop/1pmq_tutorial/r1pmqsf.ent.gz NOTE: [1pmq] status flag follows CCP4 convention NOTE: [1pmq] restricting to resolution of data items (16.955 - 2.085 A) Overall Outer shell ========================================================================= #### Refinement [11-JUN-03] Resolution [A] : 17.00 - 2.20 ( 2.30 - 2.20 ) R/Rfree : 0.231 / 0.262 ( 0.2760 / 0.3690 ) No. reflections : 19386 ( 1510 ) Completeness [%] : 95.7 ( 80.20 ) Test set selection : RANDOM Test set size/count [%/#] : 5.000 / 953 ( 5.00 / 75 ) #### Data collection [07-JUN-00] Wavelength [A] : 1.0 Temperature [K] : 100 Resolution [A] : 17.000 - 2.200 ( 2.30 - 2.20 ) Data rejection [sigma(I)] : -3.000 No. reflections : 19487 Completeness [%] : 95.6 ( 80.1 ) Multiplicity : 7.800 ( 7.60 ) : 10.0000 ( 3.000 ) Rmerge/Rsym : ? / 0.06100 ( ? / 0.17700 ) #### MTZ file Wavelength [A] : 1.0000 Resolution [A] : 16.940 - 2.100 No. reflections : 21707 Completeness [%] : 92.7 WARNING: [1pmq] higher resolution reflections available in deposited data (2.10 A) than reported on REMARK 200 (2.20 A) - difference = 0.10 WARNING: [1pmq] higher completeness for data used in refinement (95.7 %) than available in deposited data (92.7 %) - difference = 3.0 WARNING: [1pmq] higher completeness reported on REMARK 200 (95.6 %) than available in deposited data (92.7 %) - difference = 2.9 # -rw-rw-r-- 1 osmart osmart 275157 May 28 18:55 1pmq/1pmq.pdb # -rw-rw-r-- 1 osmart osmart 566720 May 28 18:55 1pmq/1pmq-unique.mtz