4Z9B
Crystal structure of Low Molecular Weight Protein Tyrosine Phosphatase isoform A complexed with benzylphosphonic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-09 |
Detector | APEX II CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.088, 54.287, 97.468 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.800 - 2.410 |
R-factor | 0.21875 |
Rwork | 0.215 |
R-free | 0.30148 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5pnt |
RMSD bond length | 0.013 |
RMSD bond angle | 1.562 |
Data reduction software | APEX |
Data scaling software | APEX |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.800 | 2.450 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.145 | 0.562 |
Number of reflections | 7097 | |
<I/σ(I)> | 16.34 | 2.94 |
Completeness [%] | 99.7 | 100 |
Redundancy | 11.84 | 11.58 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 32% (w/v) PEG 5000, 0.1 M malic acid:Tris, molar ratio 1:2, pH 7.0 |