2NNR
Crystal structure of chagasin, cysteine protease inhibitor from Trypanosoma cruzi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-01-25 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8123 |
Spacegroup name | P 31 1 2 |
Unit cell lengths | 49.546, 49.546, 187.576 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.000 - 1.700 |
R-factor | 0.187 |
Rwork | 0.186 |
R-free | 0.21600 |
Structure solution method | MAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.538 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | Auto-Rickshaw |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.500 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.038 | 0.444 |
Number of reflections | 29434 | |
<I/σ(I)> | 38.3 | 4 |
Completeness [%] | 99.6 | 100 |
Redundancy | 7.8 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 1.5M Lithium Sulfate, 0.1M Hepes pH 8.5, protein concentration 8 mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 1.5M Lithium Sulfate, 0.1M Hepes pH 8.5, protein concentration 8 mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 1.5M Lithium Sulfate, 0.1M Hepes pH 8.5, protein concentration 8 mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 1.5M Lithium Sulfate, 0.1M Hepes pH 8.5, protein concentration 8 mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 291K |