2YDW
Crystal Structure of the First Bromodomain of Human Brd2 with the inhibitor GW841819X
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF |
Synchrotron site | ESRF |
Temperature [K] | 100 |
Collection date | 1996-06-01 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 117.372, 56.013, 67.425 |
Unit cell angles | 90.00, 93.98, 90.00 |
Refinement procedure
Resolution | 67.270 - 1.900 |
R-factor | 0.20247 |
Rwork | 0.200 |
R-free | 0.24959 |
Structure solution method | MIR |
Starting model (for MR) | 1e6i |
RMSD bond length | 0.007 |
RMSD bond angle | 1.101 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.260 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.090 | 0.440 |
Number of reflections | 34166 | |
<I/σ(I)> | 11.5 | 3.3 |
Completeness [%] | 98.8 | 94.6 |
Redundancy | 3.9 | 3.5 |
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. |