1XBO
PTP1B complexed with Isoxazole Carboxylic Acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-07-02 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 88.440, 88.440, 104.470 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.680 - 2.500 |
R-factor | 0.211 |
Rwork | 0.189 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1TYR and previously refined structures of PTP1B with other ligand |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data scaling software | HKL-2000 |
Phasing software | CNX (2000) |
Refinement software | CNX (2000) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.148 | 0.593 |
Number of reflections | 16692 | |
<I/σ(I)> | 11.7 | 2.7 |
Completeness [%] | 99.4 | 99.1 |
Redundancy | 4.8 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 277 | Precipiation buffer 100 mM Hepes, 0.2 M Magnesium Acetate, 14% PEG8000, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K |