4JJM
Structure of a cyclophilin from Citrus sinensis (CsCyp) in complex with cyclosporin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 83.630, 83.630, 85.030 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.520 - 2.090 |
| R-factor | 0.1839 |
| Rwork | 0.181 |
| R-free | 0.22890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dyw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.029 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.523 | 2.200 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.196 | 0.679 |
| Number of reflections | 20834 | |
| <I/σ(I)> | 7.7 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.2 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 100 mM Bis-Tris propane, 1.2 M sodium citrate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
