4J5B
Human Cyclophilin D Complexed with an Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-20 |
Detector | MARRESEARCH |
Wavelength(s) | 1.541 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.818, 57.818, 88.755 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.488 - 2.010 |
R-factor | 0.1571 |
Rwork | 0.156 |
R-free | 0.18450 |
Structure solution method | Isomorphous Replacement |
RMSD bond length | 0.007 |
RMSD bond angle | 1.215 |
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] | 30.069 | 30.069 | 2.120 |
High resolution limit [Å] | 2.010 | 6.360 | 2.010 |
Rmerge | 0.062 | 0.019 | 0.285 |
Total number of observations | 1265 | 5471 | |
Number of reflections | 10246 | ||
<I/σ(I)> | 12.6 | 24.7 | 2.4 |
Completeness [%] | 97.1 | 90 | 90.7 |
Redundancy | 4.2 | 3.5 | 4 |
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 |