6Y2V
Crystal structure of the double mutant L13R I16K of Low Molecular Weight Protein Tyrosine Phosphatase (LMW-PTP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-05 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 56.625, 41.287, 56.898 |
Unit cell angles | 90.00, 91.81, 90.00 |
Refinement procedure
Resolution | 33.360 - 2.000 |
R-factor | 0.1851 |
Rwork | 0.183 |
R-free | 0.23130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xww |
RMSD bond length | 0.002 |
RMSD bond angle | 0.472 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.360 | 2.072 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.096 | 0.580 |
Rpim | 0.062 | 0.380 |
Number of reflections | 9025 | 917 |
<I/σ(I)> | 9.87 | 2.02 |
Completeness [%] | 99.0 | 99.78 |
Redundancy | 3.3 | 3.3 |
CC(1/2) | 0.995 | 0.718 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.1M Bis-Tris, 25% PEG3350, pH 5.5 |