8G1P
Co-crystal structure of Compound 11 in complex with the bromodomain of human SMARCA2 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 | 2019-03-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.523, 115.672, 119.654 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.810 - 2.700 |
R-factor | 0.2124 |
Rwork | 0.209 |
R-free | 0.26990 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.877 |
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] | 47.810 | 2.830 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmeas | 0.219 | |
Number of reflections | 30985 | 4067 |
<I/σ(I)> | 10.9 | 2.4 |
Completeness [%] | 100.0 | |
Redundancy | 13.3 | |
CC(1/2) | 0.996 | 0.775 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 20% PEG 3350, 0.2M Sodium Chloride |