6GJM
Cyclophilin A complexed with tri-vector ligand 4.
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) | 0.97950 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.726, 54.378, 87.283 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.040 - 1.354 |
R-factor | 0.16164 |
Rwork | 0.161 |
R-free | 0.17784 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5noy |
RMSD bond length | 0.007 |
RMSD bond angle | 1.297 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 87.283 | 1.377 |
High resolution limit [Å] | 1.354 | 1.354 |
Rmerge | 0.073 | 0.489 |
Number of reflections | 45033 | 2216 |
<I/σ(I)> | 11.6 | 2.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.2 | 6.3 |
CC(1/2) | 0.999 | 0.910 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 279.15 | PEG 8000, Tris-HCl |