9RT8
Crystal structure of Cryptosporidium parvum Thioredoxin Reductase in complex with Aurothiomalate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.226, 73.208, 189.676 |
| Unit cell angles | 90.00, 90.70, 90.00 |
Refinement procedure
| Resolution | 39.830 - 2.300 |
| R-factor | 0.2112 |
| Rwork | 0.209 |
| R-free | 0.24767 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.516 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.840 | 2.382 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 90589 | 8989 |
| <I/σ(I)> | 10.39 | |
| Completeness [%] | 99.8 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.995 | 0.648 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294.15 | 0.1 M Tris/HCl, 0.1 M KSCN, PEG 2000 MME |
