4Z6I
Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-09-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 60.015, 29.458, 141.187 |
Unit cell angles | 90.00, 92.24, 90.00 |
Refinement procedure
Resolution | 28.840 - 1.950 |
R-factor | 0.18372 |
Rwork | 0.181 |
R-free | 0.22989 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hme |
RMSD bond length | 0.021 |
RMSD bond angle | 2.069 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.840 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.033 | 0.123 |
Number of reflections | 18127 | |
<I/σ(I)> | 20.3 | 6.1 |
Completeness [%] | 98.3 | 97.9 |
Redundancy | 3.2 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277.15 | 0.1M MMT pH6, 30% PEG 1k |