4QR3
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 | 2012-10-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97931 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.236, 47.326, 78.903 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.075 - 1.374 |
R-factor | 0.1791 |
Rwork | 0.178 |
R-free | 0.20420 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.121 |
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] | 1.280 | ||
High resolution limit [Å] | 1.210 | 3.580 | 1.210 |
Rmerge | 0.152 | 0.126 | 0.806 |
Rmeas | 0.149 | 1.136 | |
Number of reflections | 56002 | 2528 | 2351 |
<I/σ(I)> | 4.83 | 9.9 | 0.68 |
Completeness [%] | 78.5 | 92.2 | 20.3 |
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 |