2YEK
Crystal Structure of the First Bromodomain of Human Brd2 with the inhibitor GSK525762 (IBET)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-22 |
| Detector | RIGAKU SATURN A200 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.243, 55.639, 66.231 |
| Unit cell angles | 90.00, 93.63, 90.00 |
Refinement procedure
| Resolution | 25.960 - 1.980 |
| R-factor | 0.15773 |
| Rwork | 0.155 |
| R-free | 0.20079 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.157 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.960 | 2.090 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.060 | 0.320 |
| Number of reflections | 28832 | |
| <I/σ(I)> | 12.8 | 3.9 |
| Completeness [%] | 97.3 | 95.5 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 26% PEG 3350, 0.2 M (NH4)2SO4, 0.1 M HEPES PH 7.0. |
