6DMJ
A multiconformer ligand model of inhibitor 53W bound to CREB binding protein bromodomain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-10-18 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.920 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.610, 50.270, 57.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 13.757 - 1.150 |
R-factor | 0.1601 |
Rwork | 0.158 |
R-free | 0.19360 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.810 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BUSTER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.110 | 1.180 |
High resolution limit [Å] | 1.150 | 1.150 |
Number of reflections | 37951 | |
<I/σ(I)> | 21.1 | |
Completeness [%] | 92.2 | |
Redundancy | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350 |