4CLB
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH IBET-295
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Collection date | 2013-04-11 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.784, 49.417, 57.269 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.410 - 1.600 |
| R-factor | 0.16675 |
| Rwork | 0.165 |
| R-free | 0.20490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.032 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.270 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.020 | 0.080 |
| Number of reflections | 15575 | |
| <I/σ(I)> | 39.5 | 11.2 |
| Completeness [%] | 96.8 | 81.5 |
| Redundancy | 4.3 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1M BTP PH 8.5, 20% PEG3350, 0.2M NAF |
