3D9C
Crystal Structure PTP1B complex with aryl Seleninic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 180 |
Collection date | 2008-02-28 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 89.279, 89.279, 105.656 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.220 - 2.300 |
Rwork | 0.218 |
R-free | 0.27400 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.114 |
Number of reflections | 31521 |
Completeness [%] | 94.3 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 298 | 20% w/v PEG 3350, 200 mM Magnesium Acetate tetrahydrate, 100 mM HEPES, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |