3ICI
Crystal structure of cyclophilin B in complex with calmegin fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9995 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.411, 44.295, 55.427 |
| Unit cell angles | 89.94, 94.46, 114.03 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.19037 |
| Rwork | 0.188 |
| R-free | 0.23876 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cyn |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.394 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.087 | 0.263 |
| Number of reflections | 38845 | |
| <I/σ(I)> | 18 | 4.6 |
| Completeness [%] | 97.3 | 95 |
| Redundancy | 3.9 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 22% w/v PEG 8000, 10mM ZnCl2, 0.1M Tris buffer, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
