2F6T
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 | 2001-01-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 88.219, 88.219, 104.867 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.780 - 1.700 |
R-factor | 0.167 |
Rwork | 0.166 |
R-free | 0.19200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ptv |
RMSD bond length | 0.008 |
RMSD bond angle | 1.716 |
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] | 31.780 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.031 | 0.200 |
Number of reflections | 52277 | |
<I/σ(I)> | 19.49 | 4.7 |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.2 | 3.3 |
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 |