2YEL
Crystal Structure of the First Bromodomain of Human Brd4 with the inhibitor GW841819X
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF |
Synchrotron site | ESRF |
Temperature [K] | 100 |
Collection date | 2009-03-17 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.083, 44.308, 78.679 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.320 - 1.650 |
R-factor | 0.16757 |
Rwork | 0.165 |
R-free | 0.21119 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oss |
RMSD bond length | 0.008 |
RMSD bond angle | 1.244 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.310 | 1.710 |
High resolution limit [Å] | 1.650 | 1.620 |
Rmerge | 0.090 | 0.390 |
Number of reflections | 16241 | |
<I/σ(I)> | 9.5 | 3.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.85 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 17.5% PEG 3350, 0.2 M (NH4)2SO4, 0.1 M BIS TRIS PH 5.5. |