7M5A
Crystal Structure of human BAK in complex with W3W5_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 | 2018-08-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.855, 70.847, 71.393 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.697 - 1.500 |
| R-factor | 0.1866 |
| Rwork | 0.185 |
| R-free | 0.21920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vwz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.940 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
| Rmerge | 0.048 | 0.033 | 0.500 |
| Rmeas | 0.052 | 0.035 | 0.556 |
| Rpim | 0.019 | 0.014 | 0.235 |
| Total number of observations | 185563 | ||
| Number of reflections | 26921 | 1445 | 1262 |
| <I/σ(I)> | 13.5 | ||
| Completeness [%] | 99.3 | 98.4 | 96.9 |
| Redundancy | 6.9 | 6.5 | 4.9 |
| CC(1/2) | 0.999 | 0.857 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 293 | 0.2 M Potassium Sodium tartrate, 20% PEG 3350 |
