4J5A
Human Cyclophilin D Complexed with an Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.090, 57.090, 88.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.697 - 1.580 |
| R-factor | 0.144 |
| Rwork | 0.142 |
| R-free | 0.19040 |
| Structure solution method | Isomorphous Replacement |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.150 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.19) |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.697 | 36.697 | 1.670 |
| High resolution limit [Å] | 1.580 | 5.000 | 1.580 |
| Rmerge | 0.067 | 0.025 | 0.508 |
| Number of reflections | 20616 | ||
| <I/σ(I)> | 11.2 | 20 | 1.5 |
| Completeness [%] | 99.8 | 99.8 | 99 |
| Redundancy | 6.6 | 7 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 291 | 30% PEG4000, pH 7.3, vapor diffusion, hanging drop, temperature 291.0K |
