6V0P
PRMT5 complex bound to covalent PBM inhibitor BRD6711
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-26 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 99.110, 138.570, 178.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.730 - 1.880 |
Rwork | 0.187 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gqb |
RMSD bond length | 0.014 |
RMSD bond angle | 1.608 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 2.100 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmeas | 0.115 | 1.600 |
Number of reflections | 50976 | 1020 |
<I/σ(I)> | 32.7 | 1.1 |
Completeness [%] | 93.9 | 86 |
Redundancy | 6.5 | 5.5 |
CC(1/2) | 0.998 | 0.480 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 281 | 26% PEG3350 200 mM ammonium sulfate 0.05% w/v DDM |