2W5E
Structural and biochemical analysis of human pathogenic astrovirus serine protease at 2.0 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 135.047, 135.047, 189.955 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
R-factor | 0.234 |
Rwork | 0.234 |
R-free | 0.25800 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.007 |
RMSD bond angle | 1.058 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHARP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.100 | 0.380 |
Number of reflections | 132495 | |
<I/σ(I)> | 9.2 | 2.6 |
Completeness [%] | 98.1 | 99.9 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 100 MM MES PH 6.5, 1 M SODIUM SUCCINATE, 10 MM CDCL2 |