6GJP
Cyclophilin A complexed with tri-vector ligand 7.
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) | 0.979500 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.496, 54.286, 88.182 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.230 - 1.940 |
R-factor | 0.1781 |
Rwork | 0.175 |
R-free | 0.23726 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5noy |
RMSD bond length | 0.017 |
RMSD bond angle | 1.755 |
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] | 54.286 | 1.973 |
High resolution limit [Å] | 1.939 | 1.939 |
Rmerge | 0.159 | |
Number of reflections | 15641 | 765 |
<I/σ(I)> | 11 | 4 |
Completeness [%] | 99.6 | 99.7 |
Redundancy | 5.7 | |
CC(1/2) | 0.992 | 0.687 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 279.15 | PEG 8000, Tris-HCl |