7LB4
Crystal structure of the second bromodomain (BD2) of human BRD3 bound to bromosporine
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 | 2019-08-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.062, 47.638, 64.728 |
Unit cell angles | 90.00, 107.84, 90.00 |
Refinement procedure
Resolution | 38.135 - 2.004 |
R-factor | 0.182 |
Rwork | 0.178 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7l9l |
Data reduction software | XDS |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
Rmerge | 0.079 | 0.043 | 0.441 |
Rmeas | 0.092 | 0.051 | 0.524 |
Rpim | 0.048 | 0.027 | 0.280 |
Total number of observations | 56172 | ||
Number of reflections | 15413 | 830 | 697 |
<I/σ(I)> | 8.9 | ||
Completeness [%] | 97.8 | 99.6 | 93.8 |
Redundancy | 3.6 | 3.4 | 3.2 |
CC(1/2) | 0.997 | 0.863 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M HEPES pH 7.5, 10 % w/v Polyethylene glycol 6,000, 5 % v/v (+/-)-2-Methyl-2,4-pentanediol |