5A0E
Crystal structure of cyclophilin D in complex with CsA analogue, JW47.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-29 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.120, 69.510, 109.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.990 - 1.250 |
| R-factor | 0.09971 |
| Rwork | 0.098 |
| R-free | 0.13122 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z6w |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.137 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.990 | 1.150 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Rmerge | 0.060 | 1.040 |
| Number of reflections | 101898 | |
| <I/σ(I)> | 20.4 | 1.8 |
| Completeness [%] | 90.5 | 45.8 |
| Redundancy | 11.8 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 2.9 | HANGING DROP 50:50. PRECIPITANT: 23% POLYETHYLENE GLYCOL (PEG3350), 50 MM SODIUM-CITRATE BUFFER AT PH 2.9 PROTEIN: 30 MG/ML IN 50MM POTASSIUM/SODIUM PHOSPHATE PH 7.3, 100MM NACL, 2MM EDTA, 0.02% SODIUM AZIDE. |
