6V0S
Crystal structure of the bromodomain of human BRD9 bound to TG003
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-11-30 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 74.634, 123.013, 31.693 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.317 - 2.400 |
R-factor | 0.1942 |
Rwork | 0.192 |
R-free | 0.23010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hme |
Data reduction software | DIALS |
Data scaling software | Aimless (0.5.1) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14-3260_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 74.630 | 74.630 | 2.490 |
High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
Rmerge | 0.034 | 0.022 | 0.316 |
Rmeas | 0.036 | 0.024 | 0.332 |
Rpim | 0.011 | 0.008 | 0.100 |
Total number of observations | 128464 | 2434 | 13568 |
Number of reflections | 12097 | 293 | 1242 |
<I/σ(I)> | 37.4 | 83.2 | 7.6 |
Completeness [%] | 100.0 | 99.8 | 99.8 |
Redundancy | 10.6 | 8.3 | 10.9 |
CC(1/2) | 1.000 | 1.000 | 0.993 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 291 | 0.2 M Li2SO4, 0.1 M HEPES (pH 7.5), 25% w/v PEG 3,350 |