6GJY
Cyclophilin A complexed with tri-vector ligand 5.
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 | 2018-02-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.90001 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.590, 52.840, 87.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.300 - 1.290 |
R-factor | 0.16488 |
Rwork | 0.164 |
R-free | 0.18791 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5noy |
RMSD bond length | 0.022 |
RMSD bond angle | 2.110 |
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] | 45.300 | 1.310 |
High resolution limit [Å] | 1.290 | 1.290 |
Rmerge | 0.062 | |
Rmeas | 0.068 | |
Rpim | 0.027 | 0.602 |
Number of reflections | 50202 | 12564 |
<I/σ(I)> | 12.1 | 1.2 |
Completeness [%] | 98.9 | 98.75 |
Redundancy | 6 | |
CC(1/2) | 0.999 | 0.505 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 279.15 | PEG 8000, Tris-HCl |