7MRD
Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-II-082
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-27 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.850, 63.170, 112.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.300 - 1.390 |
R-factor | 0.2015 |
Rwork | 0.201 |
R-free | 0.22090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kcx |
RMSD bond length | 0.005 |
RMSD bond angle | 0.991 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1-2575_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 56.300 | 56.300 | 1.430 |
High resolution limit [Å] | 1.390 | 6.220 | 1.390 |
Rmerge | 0.122 | 0.052 | 2.709 |
Rmeas | 0.127 | 0.055 | 2.814 |
Total number of observations | 657586 | ||
Number of reflections | 50695 | 664 | 3679 |
<I/σ(I)> | 11.23 | 32.76 | 1 |
Completeness [%] | 99.4 | 99.1 | 99.2 |
Redundancy | 12.971 | 11.152 | 13.653 |
CC(1/2) | 0.998 | 0.998 | 0.399 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M HEPES pH 7.5, 25% w/v Polyethylene glycol 3,350 |