3RDA
Human Cyclophilin D Complexed with a Fragment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-15 |
Detector | ADSC QUANTUM 4r |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.222, 57.222, 87.009 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.870 - 1.070 |
R-factor | 0.11636 |
Rwork | 0.115 |
R-free | 0.13834 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bit |
RMSD bond length | 0.009 |
RMSD bond angle | 1.551 |
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] | 29.000 | 1.098 |
High resolution limit [Å] | 1.070 | 1.070 |
Number of reflections | 58156 | |
<I/σ(I)> | 3.3 | |
Completeness [%] | 95.4 | 76.8 |
Redundancy | 4.6 | 3.1 |
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 |