3RCI
Human cyclophilin D complexed with 5-methyl-1,2-oxazol-3-amine
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 4 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.154, 57.154, 87.657 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.020 - 1.440 |
R-factor | 0.16924 |
Rwork | 0.168 |
R-free | 0.19703 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bit |
RMSD bond length | 0.010 |
RMSD bond angle | 1.392 |
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 | 1.470 |
High resolution limit [Å] | 1.440 | 1.440 |
Number of reflections | 25595 | |
<I/σ(I)> | 1.8 | |
Completeness [%] | 99.9 | 99.6 |
Redundancy | 5 | 5.2 |
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 |