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 |