9UPJ
Entamoeba histolytica Cyclophilin 18 in complex with Voclosporin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-06 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.858, 85.571, 62.653 |
| Unit cell angles | 90.00, 104.33, 90.00 |
Refinement procedure
| Resolution | 30.370 - 1.500 |
| R-factor | 0.15863 |
| Rwork | 0.157 |
| R-free | 0.18510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.370 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 60182 | 2977 |
| <I/σ(I)> | 12 | 2.3 |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 5.4 | 3.2 |
| CC(1/2) | 0.998 | 0.871 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 18% v/v 2-Propanol, 0.1 M Sodium citrate tribasic dihydrate pH 5.5, 20% w/v Polyethylene glycol 4,000 |
