3ODI
Crystal structure of cyclophilin A in complex with Voclosporin E-ISA247
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.179, 161.341, 93.654 |
| Unit cell angles | 90.00, 100.06, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.200 |
| R-factor | 0.16633 |
| Rwork | 0.164 |
| R-free | 0.21966 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rma |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.092 |
| 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] | 25.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 93907 | |
| <I/σ(I)> | 13.3 | 2.6 |
| Completeness [%] | 91.8 | 88 |
| Redundancy | 3.3 | 3.1 |
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 |
