4RI4
Crystal structure of PTPN3 (PTPH1) Y676I mutant in complex with vanadate
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 | 2013-09-15 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.0000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 94.878, 99.406, 134.267 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.996 - 1.596 |
R-factor | 0.1643 |
Rwork | 0.163 |
R-free | 0.18860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rh5 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.287 |
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] | 30.000 | 1.660 |
High resolution limit [Å] | 1.596 | 1.600 |
Rmerge | 0.060 | 0.500 |
Number of reflections | 83163 | |
<I/σ(I)> | 25.8 | 3.5 |
Completeness [%] | 99.1 | 97.7 |
Redundancy | 7.1 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 100mM Tris-HCl, 25% PEG 8000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |