4UYG
C-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-01 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.370, 88.332, 87.264 |
Unit cell angles | 90.00, 94.74, 90.00 |
Refinement procedure
Resolution | 62.020 - 2.500 |
R-factor | 0.19249 |
Rwork | 0.190 |
R-free | 0.23386 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.100 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.020 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.090 | 0.500 |
Number of reflections | 30640 | |
<I/σ(I)> | 11.5 | 2.8 |
Completeness [%] | 99.8 | 100 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 83MM NAAC, PH 5.0 33.3% PEG3350, 0.167M (NH4)2SO4. |