6H8S
CRYSTAL STRUCTURE OF THE MOUSE PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND BI-0314
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 | 2016-12-19 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.00000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 59.303, 59.303, 181.641 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.190 - 1.771 |
R-factor | 0.183 |
Rwork | 0.181 |
R-free | 0.21200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bij |
RMSD bond length | 0.008 |
RMSD bond angle | 0.960 |
Data scaling software | autoPROC ((Version 1.1.7)) |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.374 | 1.927 |
High resolution limit [Å] | 1.771 | 1.771 |
Rmerge | 0.212 | 1.793 |
Number of reflections | 25620 | |
<I/σ(I)> | 11.4 | 1.5 |
Completeness [%] | 78.6 | 18 |
Redundancy | 12.7 | 10.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | 26% PEG 3350, 0.1 M Tris pH 7.8, 0.2 M ammonium citrate |