4J5D
Human Cyclophilin D Complexed with an Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-19 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.93340 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 56.590, 56.590, 87.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.295 - 1.320 |
R-factor | 0.1249 |
Rwork | 0.123 |
R-free | 0.16250 |
Structure solution method | Isomorphous Replacement |
RMSD bond length | 0.009 |
RMSD bond angle | 1.277 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.19) |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.296 | 28.296 | 1.390 |
High resolution limit [Å] | 1.320 | 4.170 | 1.320 |
Rmerge | 0.070 | 0.027 | 0.493 |
Total number of observations | 9945 | 8809 | |
Number of reflections | 32346 | ||
<I/σ(I)> | 15.6 | 21.3 | 1.6 |
Completeness [%] | 94.8 | 99.7 | 73.5 |
Redundancy | 7.3 | 8.1 | 2.5 |
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 291.0K |