3F9H
Crystal Structure of the F140A mutant of SARS-Coronovirus 3C-like Protease at pH 7.6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-03-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.111, 68.144, 148.903 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.970 - 2.900 |
R-factor | 0.235 |
Rwork | 0.232 |
R-free | 0.29400 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.932 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (7.1SSI) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 15.000 | 14.970 | 3.000 |
High resolution limit [Å] | 2.900 | 6.120 | 2.900 |
Rmerge | 0.189 | 0.111 | 0.366 |
Total number of observations | 5169 | 5112 | |
Number of reflections | 14073 | ||
<I/σ(I)> | 5.8 | 1.9 | |
Completeness [%] | 98.4 | 94.6 | 99.9 |
Redundancy | 3.47 | 3.17 | 3.59 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 277 | 0.1M Tris pH 7.6, 10% PEG 6000, 1mM DTT, 5% DMSO, vapor diffusion, hanging drop, temperature 277K |