4J5C
Human Cyclophilin D Complexed with an Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-10-22 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.97934 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.306, 57.306, 87.528 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.520 - 1.030 |
R-factor | 0.0906 |
Rwork | 0.090 |
R-free | 0.10420 |
Structure solution method | Isomorphous Replacement |
RMSD bond length | 0.011 |
RMSD bond angle | 1.663 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.19) |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.946 | 47.946 | 1.090 |
High resolution limit [Å] | 1.030 | 3.260 | 1.030 |
Rmerge | 0.087 | 0.087 | 0.216 |
Total number of observations | 31200 | 27661 | |
Number of reflections | 70458 | ||
<I/σ(I)> | 18.8 | 5.4 | 3.4 |
Completeness [%] | 96.9 | 100 | 79.4 |
Redundancy | 10.5 | 12.1 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 291 | 30% PEG4000, pH 7.3, vapor diffusion, hanging drop, temperature 291.0K |