6H8R
CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-23 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.00002 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.095, 64.375, 100.804 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.690 - 1.660 |
R-factor | 0.201 |
Rwork | 0.200 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bij |
RMSD bond length | 0.008 |
RMSD bond angle | 0.970 |
Data scaling software | autoPROC ((Version 1.1.7)) |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.255 | 1.795 |
High resolution limit [Å] | 1.655 | 1.655 |
Rmerge | 0.149 | 1.195 |
Number of reflections | 33135 | |
<I/σ(I)> | 10.3 | 1.4 |
Completeness [%] | 79.0 | 18.5 |
Redundancy | 6.5 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 24 % PEG 3350, 0.2 M ammonium sulfate and 0.1 M BIS-Tris pH 5.5 |