6V1E
Crystal structure of the bromodomain of human BRD7 bound to BI7273
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 | CCD |
Collection date | 2016-12-08 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 71.730, 108.490, 36.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.245 - 2.300 |
R-factor | 0.21 |
Rwork | 0.208 |
R-free | 0.24940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ppa |
RMSD bond length | 0.003 |
RMSD bond angle | 0.552 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1-2575_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 54.245 | 54.245 | 2.360 |
High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
Rmerge | 0.067 | 0.026 | 0.332 |
Rmeas | 0.073 | 0.029 | 0.364 |
Total number of observations | 39195 | ||
Number of reflections | 6585 | 95 | 480 |
<I/σ(I)> | 20.58 | 46.96 | 5.74 |
Completeness [%] | 99.9 | 96.9 | 100 |
Redundancy | 5.952 | 4.611 | 6.056 |
CC(1/2) | 0.999 | 0.998 | 0.948 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M (NH4)2SO4, 0.05 M Bis-tris (pH 6.5), and 30 % Pentaerythritol ethoxylate |