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 |