6UXX
PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 1a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97776 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 103.071, 138.775, 178.557 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.580 - 2.690 |
R-factor | 0.26 |
Rwork | 0.259 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gqb |
RMSD bond length | 0.014 |
RMSD bond angle | 0.670 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.790 |
High resolution limit [Å] | 2.690 | 2.690 |
Rmerge | 0.070 | 0.650 |
Number of reflections | 35543 | 3363 |
<I/σ(I)> | 23.9 | |
Completeness [%] | 99.0 | |
Redundancy | 6.4 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 0.1 M sodium citrate pH 6.0, 0.2 M sodium acetate, 10-12% PEG 4000 |