1QNH
Plasmodium falciparum Cyclophilin (double mutant) complexed with Cyclosporin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Detector | FUJI BAS-2000 IMAGE PLATE |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 92.110, 115.120, 39.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.000 - 2.100 |
| R-factor | 0.17 |
| Rwork | 0.170 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cwa |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.076 | 0.213 |
| Number of reflections | 24606 | |
| <I/σ(I)> | 17.8 | 3.7 |
| Completeness [%] | 98.2 | 92.7 |
| Redundancy | 5 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.7 | 4 * | pH 7.70 |
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 | 35 (mM) | |
| 3 | 1 | drop | PEG1500 | 15 (%(w/v)) | |
| 4 | 1 | reservoir | PEG1500 | 30 (%(w/v)) |
