2F6Z
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 | 2001-05-05 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 87.996, 87.996, 104.656 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.000 - 1.700 |
R-factor | 0.161 |
Rwork | 0.160 |
R-free | 0.17700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ptv |
RMSD bond length | 0.007 |
RMSD bond angle | 1.951 |
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] | 28.000 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.024 | 0.240 |
Number of reflections | 51974 | |
<I/σ(I)> | 23.8 | 4.55 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 4.6 | 3.5 |
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 |