9RTK
Crystal structure of Cryptosporidium parvum Thioredoxin Reductase in complex with mono-carbene Au(I) complex Au(NHC)Cl
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) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.841, 72.947, 189.181 |
| Unit cell angles | 90.00, 90.52, 90.00 |
Refinement procedure
| Resolution | 47.340 - 2.200 |
| R-factor | 0.21128 |
| Rwork | 0.209 |
| R-free | 0.25483 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.508 |
| 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] | 47.620 | 2.279 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 100806 | 9870 |
| <I/σ(I)> | 9.18 | |
| Completeness [%] | 98.2 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.993 | 0.553 |
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 |
