4HXN
Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE 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 | 31.980, 47.150, 79.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.497 - 1.490 |
R-factor | 0.1772 |
Rwork | 0.176 |
R-free | 0.21310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.109 |
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] | 40.497 | 1.530 | |
High resolution limit [Å] | 1.490 | 6.660 | 1.490 |
Rmerge | 0.107 | 0.102 | 0.256 |
Number of reflections | 37588 | 343 | 2842 |
<I/σ(I)> | 8.56 | 12.13 | 4.12 |
Completeness [%] | 99.5 | 82.1 | 99.9 |
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 |