6R9S
Human Cyclophilin D in complex with bicyclic fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-06-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.382, 57.382, 88.119 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.580 - 2.000 |
| R-factor | 0.1683 |
| Rwork | 0.162 |
| R-free | 0.22840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4j5b |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.090 | 2.160 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.149 | 0.495 |
| Number of reflections | 10373 | 2038 |
| <I/σ(I)> | 11.25 | 3.71 |
| Completeness [%] | 98.9 | 97.8 |
| Redundancy | 4.6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 298 | 50 mM potassium phosphate |
