7MOW
PTP1B F225I in complex with TCS401
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 88.609, 88.609, 103.571 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.370 - 1.800 |
R-factor | 0.1559 |
Rwork | 0.155 |
R-free | 0.17570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5k9v |
RMSD bond length | 0.018 |
RMSD bond angle | 1.528 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX (1.19.1_4122) |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.370 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.078 | 0.915 |
Number of reflections | 44140 | 2545 |
<I/σ(I)> | 20.4 | 3.3 |
Completeness [%] | 99.9 | |
Redundancy | 11.2 | |
CC(1/2) | 0.994 | 0.814 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M MgCl2, 0.1 M Tris pH 8, 17.5% PEG 8000 |