8DHI
Crystal Structure of Clostridioides difficile Protein Tyrosine Phosphatase at pH 8.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 293 |
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 | 71.250, 42.736, 86.859 |
Unit cell angles | 90.00, 106.53, 90.00 |
Refinement procedure
Resolution | 38.021 - 1.588 |
R-factor | 0.1753 |
Rwork | 0.174 |
R-free | 0.20420 |
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 | 1.620 |
High resolution limit [Å] | 1.588 | 1.590 |
Rmerge | 0.066 | 0.557 |
Rpim | 0.040 | 0.354 |
Number of reflections | 67967 | 3352 |
<I/σ(I)> | 25.4 | 2 |
Completeness [%] | 99.9 | |
Redundancy | 3.7 | |
CC(1/2) | 0.993 | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M Tris, pH 8,.5, 0.2 M magnesium chloride, 25% (w/v) polyethylene glycol |