3O9K
Influenza NA in complex with compound 6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-02-02 |
Detector | RIGAKU |
Wavelength(s) | 1.5418 |
Spacegroup name | I 4 |
Unit cell lengths | 90.491, 90.491, 107.778 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.506 - 2.494 |
R-factor | 0.2236 |
Rwork | 0.220 |
R-free | 0.29580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.225 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.540 |
High resolution limit [Å] | 2.494 | 2.494 |
Number of reflections | 13808 | |
Completeness [%] | 92.9 | 60.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 300 | 50% MPD, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 300K |