4IMQ
Structural Basis of Substrate Specificity and Protease Inhibition in Norwalk Virus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2011-03-11 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 122.396, 122.396, 51.354 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.590 - 1.500 |
R-factor | 0.171 |
Rwork | 0.170 |
R-free | 0.18500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fyq |
RMSD bond length | 0.020 |
RMSD bond angle | 1.639 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.069 | |
Number of reflections | 36665 | |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 15.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 293 | 0.1-0.3 M potassium, thiocyanate and 25-30%, polyethylene glycol, monomethyl ether 2,000 , pH 7, temperature 293K |