5AD2
Bivalent binding to BET bromodomains
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-03 |
| Detector | RIGAKU CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.620, 59.620, 106.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.130 - 2.010 |
| R-factor | 0.1823 |
| Rwork | 0.179 |
| R-free | 0.23630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oss |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.620 | 2.150 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.100 | 0.340 |
| Number of reflections | 17201 | |
| <I/σ(I)> | 9.8 | 2.6 |
| Completeness [%] | 93.8 | 71.1 |
| Redundancy | 3.3 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | NACL 0.2M, PEG 3350 5.9%W/V, EG 10%V/V, HEPES 0.1M PH 7.4 |
