7M5B
Crystal Structure of human BAK in complex with M3W5_BID
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-04 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.190, 83.176, 110.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.078 - 1.850 |
R-factor | 0.1715 |
Rwork | 0.170 |
R-free | 0.20510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vwz |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 (1.11.1_2575) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3546) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
Rmerge | 0.037 | 0.016 | 0.863 |
Rmeas | 0.041 | 0.018 | 0.973 |
Rpim | 0.016 | 0.007 | 0.437 |
Total number of observations | 222410 | ||
Number of reflections | 39200 | 2061 | 1698 |
<I/σ(I)> | 14.3 | ||
Completeness [%] | 96.5 | 93 | 85.2 |
Redundancy | 5.7 | 5.6 | 4.2 |
CC(1/2) | 0.999 | 0.675 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6.5 | 293 | 15% PEG 4000 0.2 M NaCl 0.1 MES 6.5 |