7KIC
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 34
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 | 2018-12-21 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97852 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 103.561, 138.836, 178.998 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.580 - 2.430 |
R-factor | 0.22 |
Rwork | 0.217 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6uxx |
RMSD bond length | 0.010 |
RMSD bond angle | 0.910 |
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] | 55.000 | 2.530 |
High resolution limit [Å] | 2.430 | 2.440 |
Number of reflections | 47006 | 3881 |
<I/σ(I)> | 13.2 | 2.5 |
Completeness [%] | 96.5 | 80.7 |
Redundancy | 6.5 | 5.5 |
CC(1/2) | 1.000 | 0.885 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M sodium citrate pH 6.0, 0.2 M sodium acetate, 10-12% PEG 4000 |