6GJN
Cyclophilin A complexed with tri-vector ligand 15.
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 | 2017-09-10 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.952, 53.348, 88.898 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.740 - 1.700 |
| R-factor | 0.17122 |
| Rwork | 0.170 |
| R-free | 0.20290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5noy |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.107 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.750 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.186 | 0.600 |
| Rmeas | 0.206 | 0.678 |
| Rpim | 0.086 | 0.312 |
| Number of reflections | 22682 | 1178 |
| <I/σ(I)> | 8.3 | 13 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 279.15 | PEG 8000, Tris-HCl |
