7DPO
Crystal Structure of BRD2(BD2)with Ligand ZB-BD-224 bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-13 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 83.736, 35.541, 47.204 |
Unit cell angles | 90.00, 117.63, 90.00 |
Refinement procedure
Resolution | 41.822 - 2.300 |
R-factor | 0.202513494492 |
Rwork | 0.200 |
R-free | 0.24190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dvv |
RMSD bond length | 0.009 |
RMSD bond angle | 1.118 |
Data reduction software | HKL-3000 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.000 | 2.380 |
High resolution limit [Å] | 2.290 | 2.300 |
Rmeas | 0.166 | 0.474 |
Rpim | 0.067 | 0.221 |
Number of reflections | 5522 | 538 |
<I/σ(I)> | 98.3 | |
Completeness [%] | 98.1 | |
Redundancy | 5.7 | |
CC(1/2) | 0.961 | 0.900 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2M ammonium sulfate, 25% PEG 4000 |