4M3M
Influenza Neuraminidase in complex with a stereomutated analogue of Oseltamivir carboxylate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Detector technology | CCD |
Collection date | 2013-07-12 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | I 4 |
Unit cell lengths | 90.832, 90.832, 111.987 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.578 - 2.100 |
R-factor | 0.1769 |
Rwork | 0.174 |
R-free | 0.21550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.147 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.5.3) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.000 |
High resolution limit [Å] | 2.100 |
Number of reflections | 23659 |
Completeness [%] | 89.2 |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 0.1M MES, 0.2M MgCl2, 10% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |