8R7U
Crystal Structure of Cyclophilin TgCyp23 from Toxoplasma gondii in complex with dihydro 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 | 2023-09-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979260 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.346, 118.109, 47.460 |
| Unit cell angles | 90.00, 103.67, 90.00 |
Refinement procedure
| Resolution | 42.960 - 1.200 |
| R-factor | 0.1723 |
| Rwork | 0.172 |
| R-free | 0.18660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.522 |
| Data reduction software | XDS (0.86) |
| Data scaling software | Aimless (0.7.13) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.960 | 1.243 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.046 | 1.028 |
| Rpim | 0.019 | 0.418 |
| Number of reflections | 125896 | 12366 |
| <I/σ(I)> | 16.8 | 1.45 |
| Completeness [%] | 98.7 | 97.04 |
| Redundancy | 6.8 | 6.8 |
| CC(1/2) | 0.999 | 0.752 |
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 |
