4UYF
N-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND |
| Synchrotron site | Diamond |
| Temperature [K] | 100 |
| Collection date | 2008-07-01 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.064, 55.597, 67.266 |
| Unit cell angles | 90.00, 93.99, 90.00 |
Refinement procedure
| Resolution | 67.120 - 1.600 |
| R-factor | 0.18079 |
| Rwork | 0.179 |
| R-free | 0.20703 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.014 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.120 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.050 | 0.330 |
| Number of reflections | 49073 | |
| <I/σ(I)> | 15.6 | 2.4 |
| Completeness [%] | 85.7 | 64.6 |
| Redundancy | 3.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 293 | 0.1M BIS TRIS PH 5.5, 18% PEG3350, 0.2M (NH4)2SO4 20C |
