2YEM
Crystal Structure of the Second 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 | 2009-09-30 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.674, 73.492, 74.362 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.270 - 2.300 |
| R-factor | 0.18246 |
| Rwork | 0.180 |
| R-free | 0.22852 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ouo |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.081 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.490 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.080 | 0.460 |
| Number of reflections | 14749 | |
| <I/σ(I)> | 13.5 | 3.1 |
| Completeness [%] | 98.4 | 98.3 |
| Redundancy | 4.1 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 2.5 M (NH4)2SO4, 0.1 M TRIS PH 8.5. |
