4QUM
Crystal structure of PTPN3 (PTPH1) in complex with a dually phosphorylated MAPK12 peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-06 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.0000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 75.491, 75.491, 109.605 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.325 - 2.516 |
R-factor | 0.1993 |
Rwork | 0.197 |
R-free | 0.24480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2b49 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.252 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.600 |
High resolution limit [Å] | 2.510 | 2.510 |
Rmerge | 0.122 | 0.521 |
Number of reflections | 12505 | |
<I/σ(I)> | 10.79 | 2.35 |
Completeness [%] | 98.0 | 95.1 |
Redundancy | 4.7 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M Tris-HCl, 30% PEG 8000, 5% glycerol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |