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 |
