4MJU
Influenza Neuraminidase in complex with a novel antiviral compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| 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 | 90.756, 90.756, 111.902 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.204 - 2.350 |
| R-factor | 0.1857 |
| Rwork | 0.180 |
| R-free | 0.23410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ht5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.128 |
| 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 | 2.390 |
| High resolution limit [Å] | 2.350 | 6.370 | 2.350 |
| Rmerge | 0.110 | 0.057 | 0.374 |
| Number of reflections | 17318 | ||
| <I/σ(I)> | 11.6 | ||
| Completeness [%] | 91.6 | 99.2 | 99.3 |
| Redundancy | 6.8 | 7.2 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 0.1M MES, 0.2M MgCl2, 10% PEG4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
