2F6W
Protein tyrosine phosphatase 1B with sulfamic acid inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | MACSCIENCE |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-03-03 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 88.005, 88.005, 103.701 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.700 - 2.200 |
R-factor | 0.165 |
Rwork | 0.161 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ptv |
RMSD bond length | 0.013 |
RMSD bond angle | 2.572 |
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] | 30.700 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.080 | 0.410 |
Number of reflections | 22552 | |
<I/σ(I)> | 8.83 | 2.36 |
Completeness [%] | 93.6 | 93.8 |
Redundancy | 3.5 | 3 |
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 |
1 | VAPOR DIFFUSION | 8 | 298 | 18% PEG4000, 200 mM MgCl2, 100 mM TRIS-HCl, pH 8.0, VAPOR DIFFUSION, temperature 298K |