6V0X
Crystal structure of the bromodomain of human BRD9 bound to sunitinib
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) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 32.530, 112.062, 30.823 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.241 - 1.500 |
| R-factor | 0.1984 |
| Rwork | 0.197 |
| R-free | 0.22290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6uzf |
| 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] | 32.530 | 32.530 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.109 | 0.027 | 3.237 |
| Rmeas | 0.114 | 0.029 | 3.366 |
| Rpim | 0.032 | 0.009 | 0.913 |
| Total number of observations | 239696 | 1552 | 11320 |
| Number of reflections | 18344 | 150 | 849 |
| <I/σ(I)> | 22.6 | 53.1 | 3 |
| Completeness [%] | 97.9 | 98.3 | 95.2 |
| Redundancy | 13.1 | 10.3 | 13.3 |
| CC(1/2) | 0.994 | 0.999 | 0.889 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M NaCl, 0.1 M Bis-Tris (pH 5.5), and 25% PEG 3350 |
