5OVR
X-Ray Characterization of Striatal-Enriched Protein Tyrosine Phosphatase Inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-17 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.500, 64.320, 100.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.690 - 2.150 |
R-factor | 0.218 |
Rwork | 0.214 |
R-free | 0.29060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bv5 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | Aimless (0.2.8) |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.430 | 2.210 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.130 | 0.765 |
Rmeas | 0.141 | 0.827 |
Rpim | 0.053 | 0.312 |
Number of reflections | 19180 | 1549 |
<I/σ(I)> | 15 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 7 | 7 |
CC(1/2) | 0.996 | 0.928 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 26-28% PEG3350, 0.1M Bis-Tris pH5.5, 0.2M Lithium sulfate |