3EBN
A Special Dimerization of SARS-CoV Main Protease C-Terminal Domain Due to Domain-swapping
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-12-07 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 51.395, 51.350, 51.390 |
Unit cell angles | 112.22, 112.00, 104.36 |
Refinement procedure
Resolution | 50.000 - 2.400 |
R-factor | 0.209 |
Rwork | 0.208 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uk2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.322 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.051 | 0.190 |
Number of reflections | 14727 | |
Completeness [%] | 95.0 | 88.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 25% PEG3350, pH5.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |