5KJ0
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH DB-1-264-2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-16 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.110, 44.700, 77.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.374 - 1.510 |
Rwork | 0.139 |
R-free | 0.17020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4o74 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.323 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.374 | 1.550 |
High resolution limit [Å] | 1.510 | 1.510 |
Rmerge | 0.021 | 0.065 |
Number of reflections | 20265 | |
<I/σ(I)> | 41.4 | 12.9 |
Completeness [%] | 96.6 | 81.5 |
Redundancy | 4 | 2.4 |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 12.5 MG/ML BRD4, 5MM HEPES PH 7.5, 50MM SODIUM CHLORIDE, 0.5MM DTT, 50MM TRIS PH8.5, 0.1M AMMONIUM, SULFATE, 12.5% PEG 3,350, 10% DMSO, 1 MM DB-1-264-2 |