4HXP
Brd4 Bromodomain 1 complex with 4-(2-OXO-1,3-OXAZOLIDIN-3-YL)BENZAMIDE inhibitor
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 | 2012-03-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.310, 47.420, 78.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.480 - 1.730 |
R-factor | 0.1713 |
Rwork | 0.171 |
R-free | 0.19320 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.076 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.480 | 1.770 | |
High resolution limit [Å] | 1.730 | 7.740 | 1.730 |
Rmerge | 0.073 | 0.025 | 0.512 |
Number of reflections | 24428 | 269 | 1803 |
<I/σ(I)> | 13.33 | 34.69 | 2.62 |
Completeness [%] | 99.8 | 98.9 | 98.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 3.6M Na formate, 10% glycerol, vapor diffusion, hanging drop, temperature 293K |