6GJR
Cyclophilin A complexed with tri-vector ligand 9.
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 | 2017-12-10 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97947 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.510, 53.170, 87.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.300 - 1.690 |
| R-factor | 0.20316 |
| Rwork | 0.200 |
| R-free | 0.26183 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5noy |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.950 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.300 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.124 | |
| Rmeas | 0.137 | |
| Rpim | 0.058 | 0.482 |
| Number of reflections | 23700 | 1089 |
| <I/σ(I)> | 7 | 1.2 |
| Completeness [%] | 96.4 | 90.8 |
| Redundancy | 4.7 | 3.6 |
| CC(1/2) | 0.993 | 0.562 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 279.15 | PEG 8000, Tris-HCl |
