4QR4
Brd4 Bromodomain 1 complex with its novel inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.210, 47.220, 78.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.495 - 1.280 |
R-factor | 0.1634 |
Rwork | 0.163 |
R-free | 0.17680 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.181 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 1.200 | ||
High resolution limit [Å] | 1.130 | 3.370 | 1.130 |
Rmerge | 0.053 | 0.032 | 0.316 |
Rmeas | 0.040 | 0.408 | |
Number of reflections | 75298 | 3007 | 6748 |
<I/σ(I)> | 10.41 | 26.58 | 2.66 |
Completeness [%] | 86.2 | 92.2 | 47.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 3.6M Naformate, 10% glycerol, vapor diffusion, hanging drop, temperature 293K |