1QNG
Plasmodium falciparum Cyclophilin complexed with Cyclosporin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | R-AXIS IV |
| Spacegroup name | P 1 |
| Unit cell lengths | 35.460, 37.690, 37.990 |
| Unit cell angles | 61.08, 62.70, 85.08 |
Refinement procedure
| Resolution | 32.800 - 2.100 |
| R-factor | 0.15 |
| Rwork | 0.150 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qnh |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.275 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (0.5) |
| Refinement software | CNS (0.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.800 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.035 | 0.061 |
| Total number of observations | 61405 * | |
| Number of reflections | 8101 | |
| <I/σ(I)> | 26.3 | 15 |
| Completeness [%] | 92.3 | 89.5 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | pH 7.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein/drug complex | 8 (mg/ml) | |
| 2 | 1 | drop | HEPES | 0.1 (M) | |
| 3 | 1 | drop | PEG6000 | 5 (%) | |
| 4 | 1 | drop | MPD | 2.5 (%(v/v)) | |
| 5 | 1 | reservoir | MPD | 5 (%(v/v)) |
