7KIB
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 102.800, 138.950, 179.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.550 - 2.520 |
R-factor | 0.196 |
Rwork | 0.193 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6uxx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.160 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.550 | 2.620 |
High resolution limit [Å] | 2.520 | 2.520 |
Rmerge | 0.072 | 0.595 |
Rmeas | 0.078 | 0.664 |
Rpim | 0.030 | 0.290 |
Number of reflections | 43599 | 4503 |
<I/σ(I)> | 15.6 | 2.3 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 6.5 | 5.1 |
CC(1/2) | 0.998 | 0.932 |
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 |