5CBW
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 | 2013-06-29 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.984 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 57.265, 57.265, 114.502 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.180 - 1.800 |
R-factor | 0.17541 |
Rwork | 0.174 |
R-free | 0.20816 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bit |
RMSD bond length | 0.022 |
RMSD bond angle | 2.093 |
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] | 38.200 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.035 | 0.053 |
Number of reflections | 15607 | |
<I/σ(I)> | 24.3 | 13.6 |
Completeness [%] | 86.7 | 88 |
Redundancy | 3.2 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 294 | 4M potassium formate, 0.1M BIS-TRIS propane pH 9, 2% w/v PEG2000mme |