4Y14
Structure of protein tyrosine phosphatase 1B complexed with inhibitor (PTP1B:CPT157633)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 111 |
Detector technology | CCD |
Collection date | 2014-12-19 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.167, 71.748, 88.010 |
Unit cell angles | 90.00, 94.30, 90.00 |
Refinement procedure
Resolution | 43.347 - 1.898 |
R-factor | 0.1681 |
Rwork | 0.166 |
R-free | 0.20590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1c88 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.889 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
Rmerge | 0.068 | 0.048 | 0.307 |
Total number of observations | 326178 | ||
Number of reflections | 46494 | ||
<I/σ(I)> | 10.1 | ||
Completeness [%] | 90.7 | 99.8 | 49.4 |
Redundancy | 7 | 7.3 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | Tris, pH 7.4, 20% PEG8000, 0.2 M MgCl2 |