3ODL
Crystal structure of cyclophilin A in complex with Voclosporin Z-ISA247
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9799 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 132.423, 141.124, 149.069 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.310 |
| R-factor | 0.17075 |
| Rwork | 0.169 |
| R-free | 0.20718 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rma |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.050 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 123151 | |
| <I/σ(I)> | 22.1 | 6.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.5 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 20% PEG3350, 0.1M MES, 0.2M ammonium sulphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
