6RA1
Human Cyclophilin D in complex with norbornane fragment derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-11-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 56.889, 56.889, 116.147 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.230 - 2.000 |
| R-factor | 0.195 |
| Rwork | 0.192 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4j5b |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.150 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.090 | 2.250 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 12987 | 3834 |
| <I/σ(I)> | 11.01 | 3.04 |
| Completeness [%] | 95.8 | 97.5 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 298 | 50 mM potassium phosphate |
