6R9X
Human Cyclophilin D in complex with N-cyclopentyl-N'-pyridin-2-ylmethyl-oxalamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-05-13 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.239, 57.239, 87.603 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.380 - 1.660 |
R-factor | 0.149 |
Rwork | 0.144 |
R-free | 0.19300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4j5b |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 87.600 | 1.910 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.068 | 0.195 |
Number of reflections | 16838 | 5436 |
<I/σ(I)> | 15.51 | |
Completeness [%] | 94.6 | 91.4 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG4000 |