4INH
Structural Basis of Substrate Specificity and Protease Inhibition in Norwalk Virus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2011-01-16 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.335, 66.917, 100.459 |
| Unit cell angles | 89.99, 90.09, 75.93 |
Refinement procedure
| Resolution | 32.450 - 1.700 |
| R-factor | 0.178 |
| Rwork | 0.176 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.640 |
| 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 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 78900 | |
| Completeness [%] | 99.7 | 99.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 293.15 | 0.1-0.3 M potassium thiocyanate and 25-30% polyethylene glycol monomethyl ether 2,000 , pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |
