6GJI
Cyclophilin A complexed with the tri-vector ligand 8.
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 | 42.621, 54.535, 87.486 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.280 - 1.600 |
R-factor | 0.15449 |
Rwork | 0.153 |
R-free | 0.19071 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5noy |
RMSD bond length | 0.022 |
RMSD bond angle | 1.996 |
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] | 87.486 | 1.625 |
High resolution limit [Å] | 1.597 | 1.597 |
Rmerge | 0.070 | 0.621 |
Rmeas | 0.080 | 0.689 |
Rpim | 0.043 | 0.366 |
Number of reflections | 27755 | 1350 |
<I/σ(I)> | 13.5 | 2.4 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.3 | 6.6 |
CC(1/2) | 0.998 | 0.886 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 279.15 | PEG 8000, Tris-HCl |