2Z6W
Crystal structure of human cyclophilin D in complex with cyclosporin A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.882, 69.313, 112.077 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.080 - 0.960 |
R-factor | 0.13 |
Rwork | 0.129 |
R-free | 0.15300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bit |
RMSD bond length | 0.017 |
RMSD bond angle | 1.826 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 200.000 | 0.970 |
High resolution limit [Å] | 0.960 | 0.960 |
Rmerge | 0.059 | 0.414 |
Number of reflections | 180558 | |
<I/σ(I)> | 18.6 | 2.4 |
Completeness [%] | 97.7 | 96.6 |
Redundancy | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 2.9 | 20% PEG 3350, PH 2.9, VAPOR DIFFUSION, TEMPERATURE 293K |