4UIW
BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-dioxo-1-thian-4-yl)-5-ethyl-4- oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2- carboximidamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 100 |
Collection date | 2014-01-29 |
Spacegroup name | P 1 |
Unit cell lengths | 24.689, 33.918, 39.578 |
Unit cell angles | 68.84, 73.76, 73.83 |
Refinement procedure
Resolution | 31.000 - 1.730 |
R-factor | 0.13681 |
Rwork | 0.135 |
R-free | 0.17951 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NONE |
RMSD bond length | 0.016 |
RMSD bond angle | 1.609 |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.000 | 1.830 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.020 | 0.070 |
Number of reflections | 10779 | |
<I/σ(I)> | 26.1 | 7.6 |
Completeness [%] | 92.1 | 85.3 |
Redundancy | 2.2 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 277 | 0.1M MORPHEUS BUFFER PH 6.5, 30% MORPHEUS_EDO_P8K, 0.1M MORPHEUS AMINO ACIDS AT 4C |