2OUL
The Structure of Chagasin in Complex with a Cysteine Protease Clarifies the Binding Mode and Evolution of a New Inhibitor Family
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2003-12-10 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 94.236, 94.236, 119.764 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.120 - 2.200 |
R-factor | 0.18869 |
Rwork | 0.186 |
R-free | 0.23153 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1YVB.PDB |
RMSD bond length | 0.016 |
RMSD bond angle | 1.519 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.120 | 2.340 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.094 | 0.336 |
Number of reflections | 27127 | |
<I/σ(I)> | 12.6 | 2.5 |
Completeness [%] | 96.7 | 84 |
Redundancy | 6.3 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 277 | 20% (v/v) PEG-300, 0.1 M Tris pH 8.5, 5% (w/v) PEG8000, and 10-15% (v/v) glycerol, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K, pH 7.00 |