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 |