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 |