5CCS
Human Cyclophilin D Complexed with Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-11-21 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.270, 58.700, 77.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.690 - 2.100 |
R-factor | 0.16214 |
Rwork | 0.160 |
R-free | 0.19561 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bit |
RMSD bond length | 0.017 |
RMSD bond angle | 1.805 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.700 | 2.200 |
High resolution limit [Å] | 1.600 | 2.100 |
Rmerge | 0.052 | 0.088 |
Number of reflections | 8627 | |
<I/σ(I)> | 16.2 | 7 |
Completeness [%] | 63.3 | 67 |
Redundancy | 4.1 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 294 | 25% w/v PEG3350, 0.1M TRIS-HCL pH 8 |