2Z6W
Crystal structure of human cyclophilin D in complex with cyclosporin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.882, 69.313, 112.077 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.080 - 0.960 |
| R-factor | 0.13 |
| Rwork | 0.129 |
| R-free | 0.15300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bit |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.826 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 200.000 | 0.970 |
| High resolution limit [Å] | 0.960 | 0.960 |
| Rmerge | 0.059 | 0.414 |
| Number of reflections | 180558 | |
| <I/σ(I)> | 18.6 | 2.4 |
| Completeness [%] | 97.7 | 96.6 |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 2.9 | 20% PEG 3350, PH 2.9, VAPOR DIFFUSION, TEMPERATURE 293K |
