1QXK
Monoacid-Based, Cell Permeable, Selective Inhibitors of Protein Tyrosine Phosphatase 1B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-08-20 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 88.356, 88.356, 104.347 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.660 - 2.300 |
R-factor | 0.201 |
Rwork | 0.196 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1TYR and other refined complexes |
RMSD bond length | 0.006 |
RMSD bond angle | 22.600 * |
Data scaling software | HKL-2000 |
Phasing software | CNX (2000) |
Refinement software | CNX (2000) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.064 | 0.548 |
Number of reflections | 18937 | |
<I/σ(I)> | 12.2 | 1.7 |
Completeness [%] | 98.5 | 97.3 |
Redundancy | 3.2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 7.1 | 277 | Precipitation Buffer: 100 mM HEPES, 0.2 M Magnesium Acetate, 14% PEG8000, pH 7.10, VAPOR DIFFUSION, HANGING DROP, temperature 277K |