6XV7
CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-04 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.023, 47.544, 78.927 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.730 - 1.668 |
R-factor | 0.1733 |
Rwork | 0.172 |
R-free | 0.20350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6oss |
RMSD bond length | 0.008 |
RMSD bond angle | 0.840 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.730 | 1.750 |
High resolution limit [Å] | 1.670 | 1.670 |
Number of reflections | 12909 | 645 |
<I/σ(I)> | 14.9 | |
Completeness [%] | 90.1 | |
Redundancy | 5.6 | |
CC(1/2) | 0.992 | 0.806 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 29 % PEG 3350, 0.2 M disodium malonate, 0.1 M HEPES |