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 |
