7Q3F
Bromodomain-containing 4 BD1 in complex with the inhibitor CRCM5484
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-28 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.205, 48.717, 61.584 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.207 - 1.210 |
R-factor | 0.2065 |
Rwork | 0.206 |
R-free | 0.22420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oss |
Data reduction software | xia2 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.720 | 48.720 | 1.240 |
High resolution limit [Å] | 1.210 | 5.410 | 1.210 |
Rmerge | 0.042 | 0.018 | 1.688 |
Number of reflections | 39573 | 8453 | 6878 |
<I/σ(I)> | 8.6 | ||
Completeness [%] | 99.4 | 99.8 | 99.7 |
Redundancy | 3.7 | 3.7 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 285 | 0.3M NaNO3, 16% PEG3350, 5% Ethylene glycol |