4MJV
Influenza Neuraminidase in complex with a novel antiviral compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-15 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | I 4 |
Unit cell lengths | 90.744, 90.744, 112.002 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.663 - 2.650 |
R-factor | 0.2085 |
Rwork | 0.200 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.228 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.5.3) |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.000 | 45.000 | 2.700 |
High resolution limit [Å] | 2.650 | 7.180 | 2.650 |
Rmerge | 0.154 | 0.065 | 0.466 |
Number of reflections | 10944 | ||
<I/σ(I)> | 8.3 | ||
Completeness [%] | 82.9 | 98.1 | 100 |
Redundancy | 7 | 7.3 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 0.1M MES, 0.2M MgCl2, 10% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 292K, pH 6.5 |