2Z94
Complex structure of SARS-CoV 3C-like protease with TDT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-12-20 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 108.511, 81.548, 53.334 |
Unit cell angles | 90.00, 105.13, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.780 |
R-factor | 0.193 |
Rwork | 0.191 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1z1i |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.840 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.049 | 0.487 |
Number of reflections | 41723 | |
<I/σ(I)> | 15.6 | 2 |
Completeness [%] | 97.1 | 86.5 |
Redundancy | 3.9 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 15% PEG 6000, 4~15%Dimethyl sulfoxide, 0.1mM Dithiothreitol, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |