1PXH
Crystal structure of protein tyrosine phosphatase 1B with potent and selective bidentate inhibitor compound 2
Replaces: 1N6WExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9A |
Synchrotron site | NSLS |
Beamline | X9A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-03-01 |
Detector | MARRESEARCH |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.840, 85.678, 88.678 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 * - 2.150 |
R-factor | 0.203 |
Rwork | 0.200 |
R-free | 0.24000 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eeo |
RMSD bond length | 0.005 * |
RMSD bond angle | 1.190 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.250 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.074 * | 0.302 * |
Total number of observations | 808140 * | |
Number of reflections | 22384 | |
Completeness [%] | 99.3 * | 98.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | Barford, D., (1994) Science, 263, 1397. * |