8G2G
Crystal structure of PRMT3 with compound YD1113
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-22 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 95.808, 99.863, 170.314 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.960 - 2.020 |
R-factor | 0.19562 |
Rwork | 0.195 |
R-free | 0.23172 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.422 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.075 | 0.975 |
Number of reflections | 53430 | 2619 |
<I/σ(I)> | 9.4 | 1.9 |
Completeness [%] | 99.8 | 100 |
Redundancy | 6.3 | 6.3 |
CC(1/2) | 1.000 | 0.693 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.1 M TRIS hydrochloride pH 8.5, 2.0 M Ammonium sulfate |