7L72
Crystal structure of the second bromodomain (BD2) of human BRD3 bound to Ro3280
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-01-13 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5417 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 55.580, 63.270, 40.040 |
Unit cell angles | 90.00, 109.99, 90.00 |
Refinement procedure
Resolution | 37.630 - 1.500 |
R-factor | 0.1533 |
Rwork | 0.152 |
R-free | 0.18170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s92 |
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] | 37.630 | 37.630 | 1.540 |
High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
Rmerge | 0.060 | 0.061 | 0.042 |
Rmeas | 0.073 | 0.073 | 0.059 |
Number of reflections | 19458 | 243 | 1269 |
<I/σ(I)> | 12.83 | 18.26 | 8.26 |
Completeness [%] | 93.0 | 96 | 82.2 |
Redundancy | 2.057 | 3.329 | 1.27 |
CC(1/2) | 0.992 | 0.989 | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M L-Proline, 0.1 M HEPES pH 7.5, 10 % w/v Polyethylene glycol 3,350 |