3EA8
Crystal structure of SARS-CoV main protease triple mutant STI/A in space group C2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 150 |
Detector technology | CCD |
Collection date | 2008-06-17 |
Detector | BRUKER SMART 2000 |
Wavelength(s) | 1.54105 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 107.148, 82.559, 52.750 |
Unit cell angles | 90.00, 106.49, 90.00 |
Refinement procedure
Resolution | 42.587 - 2.250 |
R-factor | 0.186 |
Rwork | 0.184 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2h2z |
RMSD bond length | 0.007 |
RMSD bond angle | 1.063 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.640 | 1.760 | |
High resolution limit [Å] | 1.696 | 3.650 | 1.700 |
Number of reflections | 48425 | ||
<I/σ(I)> | 87.132 | ||
Completeness [%] | 98.9 | ||
Redundancy | 4.58 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 6% PEG 6000, 0.1M Mes, PH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |