4H53
Influenza N2-Tyr406Asp neuraminidase in complex with beta-Neu5Ac
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2012-04-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.217, 114.831, 84.259 |
| Unit cell angles | 90.00, 99.71, 90.00 |
Refinement procedure
| Resolution | 39.051 - 1.500 |
| R-factor | 0.1411 |
| Rwork | 0.140 |
| R-free | 0.16130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tia |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.366 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 248232 | |
| Completeness [%] | 99.9 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 0.1M MES monohydrate pH 6.0, 14% w/v Polyethylene glycol 4000, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
