1YND
Structure of human cyclophilin A in complex with the novel immunosuppressant sanglifehrin A at 1.6A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM1A |
Synchrotron site | ESRF |
Beamline | BM1A |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 1997-01-18 |
Detector | MARRESEARCH |
Wavelength(s) | 0.873 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.600, 65.400, 76.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.600 |
R-factor | 0.1644 |
Rwork | 0.163 |
R-free | 0.18461 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cwa |
RMSD bond length | 0.007 |
RMSD bond angle | 1.183 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 41593 | |
<I/σ(I)> | 16.4 | 1.9 |
Completeness [%] | 99.2 | 100 |
Redundancy | 4.3 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | Mg acetate, Na cacodylate, PEG4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |