3RDC
Human Cyclophilin D Complexed with an Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | AREA DETECTOR |
Collection date | 2008-10-12 |
Detector | MARRESEARCH |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 56.445, 56.445, 86.995 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.790 - 1.940 |
R-factor | 0.20781 |
Rwork | 0.205 |
R-free | 0.27014 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bit |
RMSD bond length | 0.007 |
RMSD bond angle | 1.063 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | X-PLOR |
Refinement software | REFMAC (5.4.0062) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.200 | 1.987 |
High resolution limit [Å] | 1.930 | 1.930 |
Number of reflections | 10358 | |
<I/σ(I)> | 3.5 | |
Completeness [%] | 97.5 | 84 |
Redundancy | 4.1 | 4.8 |
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 291K |