2F6V
Protein tyrosine phosphatase 1B with sulfamic acid inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-02-02 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 87.984, 87.984, 104.455 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.780 - 1.700 |
R-factor | 0.17162 |
Rwork | 0.171 |
R-free | 0.18775 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ptv |
RMSD bond length | 0.008 |
RMSD bond angle | 1.727 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.780 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.034 | 0.280 |
Number of reflections | 51863 | |
<I/σ(I)> | 16.9 | 3.08 |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.8 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 298 | 18% PEG4000, 200 mM MgCl2, 100 mM TRIS-HCl, pH 8.0, VAPOR DIFFUSION, temperature 298K |