4XNC
Crystal structure at room temperature of cyclophilin D in complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2014-05-12 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 58.000, 58.000, 88.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.020 - 2.230 |
| R-factor | 0.1421 |
| Rwork | 0.140 |
| R-free | 0.18630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.321 |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 29.500 |
| High resolution limit [Å] | 2.230 |
| Number of reflections | 6820 |
| <I/σ(I)> | 18.8 |
| Completeness [%] | 98.1 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 298 | 25% (w/v) PEG4000 |
