3O9J
Influenza NA in complex with compound 5
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 | 90.580, 90.580, 109.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.644 - 2.000 |
R-factor | 0.2182 |
Rwork | 0.215 |
R-free | 0.28220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.825 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 27534 | |
Completeness [%] | 97.3 | 84.5 |
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 |