6R9S
Human Cyclophilin D in complex with bicyclic fragment
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 | 2013-06-01 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.382, 57.382, 88.119 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.580 - 2.000 |
R-factor | 0.1683 |
Rwork | 0.162 |
R-free | 0.22840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4j5b |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.090 | 2.160 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.149 | 0.495 |
Number of reflections | 10373 | 2038 |
<I/σ(I)> | 11.25 | 3.71 |
Completeness [%] | 98.9 | 97.8 |
Redundancy | 4.6 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 298 | 50 mM potassium phosphate |