4XNC
Crystal structure at room temperature of cyclophilin D in complex with an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2014-05-12 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.542 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 58.000, 58.000, 88.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.020 - 2.230 |
R-factor | 0.1421 |
Rwork | 0.140 |
R-free | 0.18630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.321 |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 29.500 |
High resolution limit [Å] | 2.230 |
Number of reflections | 6820 |
<I/σ(I)> | 18.8 |
Completeness [%] | 98.1 |
Redundancy | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 298 | 25% (w/v) PEG4000 |