9F64
Crystal structure of thiol peroxidase mutant (C94A) in complex with Metro* (H. pylori
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 67.370, 71.480, 40.770 |
| Unit cell angles | 90.00, 115.91, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.750 |
| R-factor | 0.19764 |
| Rwork | 0.197 |
| R-free | 0.22370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.253 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.850 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.034 | 0.673 |
| Number of reflections | 16754 | 2627 |
| <I/σ(I)> | 14.3 | 2.1 |
| Completeness [%] | 95.0 | 95 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M TRIS, 0.01 M CoCl2, 20% PVP K15 |
