8F6G
Crystal structure of BPTF bromodomain in complex with BZ2
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 | 2022-04-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 26.976, 66.859, 39.564 |
Unit cell angles | 90.00, 104.94, 90.00 |
Refinement procedure
Resolution | 33.430 - 1.950 |
R-factor | 0.1932 |
Rwork | 0.191 |
R-free | 0.22610 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 7m2e |
RMSD bond length | 0.004 |
RMSD bond angle | 0.716 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX (1.20) |
Refinement software | PHENIX (1.20) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 33.430 | 33.430 | 1.980 |
High resolution limit [Å] | 1.950 | 5.290 | 1.950 |
Rmerge | 0.105 | 0.052 | 0.609 |
Number of reflections | 9052 | 493 | 404 |
<I/σ(I)> | 5.7 | ||
Completeness [%] | 90.9 | 95.4 | 83 |
Redundancy | 2.3 | 2.3 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0. 2 M NaCl and 23% PEG 3350 |