3EOV
Crystal structure of cyclophilin from Leishmania donovani ligated with cyclosporin A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 2008-01-01 |
Detector | MAR scanner 300 mm plate |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 69.810, 83.125, 73.580 |
Unit cell angles | 90.00, 103.03, 90.00 |
Refinement procedure
Resolution | 27.480 - 2.600 |
R-factor | 0.207 |
Rwork | 0.207 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2haq |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.052 | 0.251 |
Number of reflections | 12040 | |
<I/σ(I)> | 14.1 | 2.6 |
Completeness [%] | 95.3 | 96.5 |
Redundancy | 4.11 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 0.02M TRIS, 15% PEG3350, 0.1M NACL, 0.02% AZIDE, PH 8.5, 6% ETHYL ALCOHOL, CONCENTRATION: 10 MG/ML 1:1 CYCLOPHILIN-CYCLOSPORIN COMPLEX, TEMPERATURE 292K, BATCH METHOD, PH 8.50, SMALL TUBES |