7RBQ
Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97741 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.044, 82.061, 65.767 |
Unit cell angles | 90.00, 97.71, 90.00 |
Refinement procedure
Resolution | 48.910 - 2.200 |
R-factor | 0.2154 |
Rwork | 0.212 |
R-free | 0.27060 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 1.124 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
Rmerge | 0.077 | 0.044 | 0.742 |
Rmeas | 0.090 | 0.052 | 0.914 |
Rpim | 0.046 | 0.026 | 0.523 |
Total number of observations | 116990 | ||
Number of reflections | 33259 | 1776 | 1375 |
<I/σ(I)> | 6.1 | ||
Completeness [%] | 97.1 | 100 | 81.4 |
Redundancy | 3.5 | 3.7 | 2.5 |
CC(1/2) | 0.997 | 0.618 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 25%(w/v)PEG3350, 0.1M Ammonium Sulphate, 0.1M Bis-Tris pH7.4 |