7USJ
BRD4-BD2 in complex with SF2523
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-02-13 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 77.625, 77.625, 100.645 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.820 - 2.080 |
R-factor | 0.2187 |
Rwork | 0.214 |
R-free | 0.26540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uf0 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.820 | 2.154 |
High resolution limit [Å] | 2.080 | 2.080 |
Rmerge | 0.192 | |
Rpim | 0.055 | |
Number of reflections | 19034 | 1873 |
<I/σ(I)> | 15.1 | |
Completeness [%] | 99.5 | |
Redundancy | 10.6 | |
CC(1/2) | 0.999 | 0.627 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289.15 | 0.1 M HEPES pH 7.5, 28 % w/v PEG 3350 |