8DHJ
Crystal structure of Clostridioides difficile Protein Tyrosine Phosphatase at pH 7.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-06-18 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.00000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.459, 42.677, 86.739 |
Unit cell angles | 90.00, 106.42, 90.00 |
Refinement procedure
Resolution | 36.229 - 1.483 |
R-factor | 0.1585 |
Rwork | 0.156 |
R-free | 0.19930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ywf |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.500 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.048 | 0.531 |
Rpim | 0.035 | 0.410 |
Number of reflections | 82376 | 4129 |
<I/σ(I)> | 19.5 | 2.2 |
Completeness [%] | 98.8 | |
Redundancy | 2.6 | |
CC(1/2) | 0.996 | 0.679 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES pH 7.5, 0.2 magnesium chloride, 25% (w/v) polyethylene glycol 3350 |