4QQN
Protein arginine methyltransferase 3 in complex with compound MTV044246
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 | 2013-04-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97904 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 70.319, 70.319, 172.918 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.080 |
R-factor | 0.1839 |
Rwork | 0.183 |
R-free | 0.21160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hsg |
RMSD bond length | 0.008 |
RMSD bond angle | 1.231 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP (11.1.03) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.120 |
High resolution limit [Å] | 2.080 | 5.640 | 2.080 |
Rmerge | 0.077 | 0.025 | 0.704 |
Number of reflections | 27071 | ||
<I/σ(I)> | 25.4 | ||
Completeness [%] | 100.0 | 99.5 | 99.9 |
Redundancy | 6 | 5.5 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 30% PEG 4000, 0.2 M MgCl2, 0.1 M Tris HCL pH8.5, vapor diffusion hanging drop, temperature 293K |