7Z77
Crystal structure of compound 6 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.903, 63.707, 91.956 |
Unit cell angles | 90.00, 101.32, 90.00 |
Refinement procedure
Resolution | 30.060 - 1.970 |
R-factor | 0.215 |
Rwork | 0.213 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5t35 4qy4 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.980 |
Data reduction software | XDS |
Data scaling software | STARANISO (2.2.19) |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.170 | 2.231 |
High resolution limit [Å] | 1.970 | 1.974 |
Number of reflections | 29493 | 1176 |
<I/σ(I)> | 12.3 | |
Completeness [%] | 87.7 | |
Redundancy | 5 | |
CC(1/2) | 0.998 | 0.487 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20 % PEG 3350, 0.1 M BIS_TRIS propane pH 7.5, 200 mM sodium formate |