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. |
