7L9G
Crystal structure of the second bromodomain (BD2) of human BRD2 bound to BI2536
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 | 2019-02-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 52.530, 71.550, 32.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.770 - 1.360 |
R-factor | 0.1501 |
Rwork | 0.149 |
R-free | 0.17220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3oni |
RMSD bond length | 0.009 |
RMSD bond angle | 1.499 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4085) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.775 | 35.775 | 1.400 |
High resolution limit [Å] | 1.360 | 6.080 | 1.360 |
Rmerge | 0.022 | 0.020 | 0.148 |
Rmeas | 0.025 | 0.022 | 0.193 |
Total number of observations | 83854 | ||
Number of reflections | 24096 | 349 | 1081 |
<I/σ(I)> | 32.15 | 73.1 | 4.71 |
Completeness [%] | 90.0 | 97.2 | 55.1 |
Redundancy | 3.48 | 5.754 | 1.959 |
CC(1/2) | 1.000 | 1.000 | 0.952 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Sodium chloride, 0.1 M BIS-TRIS pH 5.5, 25 % w/v Polyethylene glycol 3350 |