3RCF
Human cyclophilin D complexed with N-[(4-aminophenyl)sulfonyl]benzamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-15 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.518, 57.518, 87.564 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.030 - 1.150 |
R-factor | 0.1264 |
Rwork | 0.125 |
R-free | 0.15000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bit |
RMSD bond length | 0.006 |
RMSD bond angle | 1.164 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | X-PLOR |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.300 | 1.180 |
High resolution limit [Å] | 1.150 | 1.150 |
Number of reflections | 49247 | |
Completeness [%] | 98.2 | 90.9 |
Redundancy | 7.3 | 6.3 |
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 291K |