4CL9
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET295
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Collection date | 2013-09-18 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.610, 43.140, 80.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.080 - 1.400 |
| R-factor | 0.18831 |
| Rwork | 0.188 |
| R-free | 0.19887 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.145 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.080 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.080 | 0.740 |
| Number of reflections | 27078 | |
| <I/σ(I)> | 12.3 | 2.7 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.1 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 25% PEG6000, 0.1M TRISHCL PH 8.0, 0.2M LICL |
