4S1J
Crystal structure of cyclophilin mutant V33A from Leishmania donovani at 2.3 angstrom.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-11-23 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 |
| Unit cell lengths | 48.534, 48.534, 141.696 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.500 - 2.300 |
| R-factor | 0.29 |
| Rwork | 0.191 |
| R-free | 0.22150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2haq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.530 | 3.120 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.900 | 2.300 |
| Rmerge | 0.049 | ||
| Number of reflections | 14068 | ||
| <I/σ(I)> | 13.8 | ||
| Completeness [%] | 97.3 | 100 | 81.7 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 10% PEG3350, 0.02 M Tris-HCl, 0.02% azide, 7 mg/mL protein, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
