8G1Q
Co-crystal structure of Compound 1 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-05-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1 |
Spacegroup name | P 62 |
Unit cell lengths | 158.163, 158.163, 44.857 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.660 - 3.730 |
R-factor | 0.2395 |
Rwork | 0.235 |
R-free | 0.32580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.755 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.660 | 4.170 |
High resolution limit [Å] | 3.730 | 3.730 |
Rmerge | 0.065 | |
Rmeas | 0.366 | |
Number of reflections | 6928 | 6944 |
<I/σ(I)> | 7.7 | |
Completeness [%] | 99.9 | |
Redundancy | 10.8 | 10.1 |
CC(1/2) | 0.990 | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | PEG 300 0.1M Bis-Tris 6.5 |