6V1F
Crystal structure of the bromodomain of human BRD7 bound to BI9564
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 | 2016-10-20 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 71.490, 108.710, 36.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.322 - 2.000 |
R-factor | 0.2187 |
Rwork | 0.217 |
R-free | 0.24890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ppa |
RMSD bond length | 0.003 |
RMSD bond angle | 0.578 |
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] | 32.322 | 32.322 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.042 | 0.028 | 0.308 |
Rmeas | 0.046 | 0.032 | 0.332 |
Total number of observations | 71354 | ||
Number of reflections | 10022 | 136 | 740 |
<I/σ(I)> | 28.83 | 54.9 | 6.46 |
Completeness [%] | 99.8 | 97.1 | 100 |
Redundancy | 7.12 | 5.272 | 7.272 |
CC(1/2) | 0.999 | 0.999 | 0.983 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.05 M (NH4)2SO4, 0.1 M Bis-tris (pH 6.5), and 30 % Pentaerythritol ethoxylate |