4ALG
N-Terminal Bromodomain of Human BRD2 With IBET-151
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 | 1996-09-21 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 82.050, 40.303, 48.347 |
| Unit cell angles | 90.00, 113.22, 90.00 |
Refinement procedure
| Resolution | 44.410 - 1.600 |
| R-factor | 0.17701 |
| Rwork | 0.176 |
| R-free | 0.20214 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.984 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.410 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.050 | 0.380 |
| Number of reflections | 18099 | |
| <I/σ(I)> | 14.9 | 2 |
| Completeness [%] | 93.8 | 71.5 |
| Redundancy | 3.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.7 | 293 | 150MM NH4SO4, 25%MME, 100MM NAAC PH 4.7, 20C |
