1M63
Crystal structure of calcineurin-cyclophilin-cyclosporin shows common but distinct recognition of immunophilin-drug complexes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-06-15 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 108.657, 108.657, 316.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 * - 2.800 |
R-factor | 0.26 |
Rwork | 0.260 |
R-free | 0.32200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | CNA FROM THE CN-FKBP COMPLEX CYPA FROM THE UNLIGATED STRUCTURE |
RMSD bond length | 0.013 |
RMSD bond angle | 1.670 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.136 | 0.326 |
Total number of observations | 183803 * | |
Number of reflections | 43551 | |
<I/σ(I)> | 7.1 | 1.5 |
Completeness [%] | 90.9 | 62.9 |
Redundancy | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7.5 * | 0.1 M NA CACODYLATE, 0.2 M MGCL2, 13% PEG8000, 2.5% ETHANOL, PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 15 (mg/ml) | |
2 | 1 | drop | 0.1 (M) | ||
3 | 1 | drop | Tris-HCl | 20 (mM) | pH7.5 |
4 | 1 | drop | 2-mercaptoethanol | 1 (mM) | |
5 | 1 | drop | 2 (mM) | ||
6 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
7 | 1 | reservoir | 1.5 (M) |