9UPK
Entamoeba histolytica Cyclophilin 18 in complex with Alisporivir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-11 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.967 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.381, 85.855, 62.878 |
| Unit cell angles | 90.00, 104.25, 90.00 |
Refinement procedure
| Resolution | 49.700 - 1.600 |
| R-factor | 0.1672 |
| Rwork | 0.166 |
| R-free | 0.18620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.135 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.700 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 50234 | 2553 |
| <I/σ(I)> | 9.3 | 3.9 |
| Completeness [%] | 99.0 | 99.8 |
| Redundancy | 5.2 | 5.2 |
| CC(1/2) | 0.990 | 0.913 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 20% v/v 2-Propanol, 20% w/v Polyethylene glycol 4,000 |
