9F5V
Crystal structure of thiol peroxidase from Helicobacter pylori (HpTx, reduced)
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 | 2023-09-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.530, 68.630, 64.380 |
| Unit cell angles | 90.00, 98.96, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.750 |
| R-factor | 0.18436 |
| Rwork | 0.183 |
| R-free | 0.21880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.174 |
| 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 | 0.044 | 0.686 |
| Number of reflections | 34071 | 5224 |
| <I/σ(I)> | 14.1 | 2.2 |
| Completeness [%] | 96.6 | 96.5 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M HEPES, 30% PEG 400 |
