4HSG
Crystal structure of human PRMT3 in complex with an allosteric inhibitor (PRMT3- KTD)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-18 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 70.699, 70.699, 172.946 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.070 - 2.300 |
R-factor | 0.193 |
Rwork | 0.192 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3smq |
RMSD bond length | 0.008 |
RMSD bond angle | 1.242 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.091 | 0.847 |
Number of reflections | 20339 | |
<I/σ(I)> | 25.7 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 9.7 | 9.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 291 | 25% PEG 3350, 0.2 M Lithium Sulfate, 0.1 M Hepes pH7.5, vapor diffusion hanging drop, temperature 291K |