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 |