8B58
Crystal Structure of Cyclophilin TgCyp23 from Toxoplasma gondii in complex with Cyclosporin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.400, 119.424, 46.350 |
| Unit cell angles | 90.00, 103.62, 90.00 |
Refinement procedure
| Resolution | 45.090 - 1.100 |
| R-factor | 0.13359 |
| Rwork | 0.133 |
| R-free | 0.15301 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.571 |
| 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] | 45.090 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.043 | 1.130 |
| Number of reflections | 154928 | 7984 |
| <I/σ(I)> | 16.8 | 1.6 |
| Completeness [%] | 99.8 | 99 |
| Redundancy | 6.6 | 6.3 |
| CC(1/2) | 1.000 | 0.710 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M citric acid pH 3.5, and 25% polyethylene glycol 3350 |
