4S1E
Crystal structure of cyclophilin mutant L120A from Leishmania donovani at 2.22 angstrom.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-09-12 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 |
| Unit cell lengths | 48.619, 48.619, 141.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.220 |
| R-factor | 0.243 |
| Rwork | 0.176 |
| R-free | 0.22160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2haq |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.010 | 2.300 |
| High resolution limit [Å] | 2.220 | 2.790 | 2.220 |
| Rmerge | 0.056 | ||
| Number of reflections | 16104 | ||
| <I/σ(I)> | 23.8 | ||
| Completeness [%] | 99.2 | 100 | 93.7 |
| Redundancy | 5.91 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 10% PEG 3350,0.02 M Tris-HCl,0.02% Azide, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
