3BEQ
Neuraminidase of A/Brevig Mission/1/1918 H1N1 strain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-16 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.00797 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 117.728, 138.472, 117.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.860 - 1.640 |
| R-factor | 0.18183 |
| Rwork | 0.180 |
| R-free | 0.21045 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hty |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.436 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.680 |
| High resolution limit [Å] | 1.640 | 4.480 | 1.640 |
| Rmerge | 0.093 | 0.049 | 0.528 |
| Number of reflections | 113144 | ||
| <I/σ(I)> | 9.1 | ||
| Completeness [%] | 97.3 | 99.9 | 76.4 |
| Redundancy | 4.2 | 4.2 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 0.16 M calcium acetate; 0.08 M cacodylate; 14.4% PEG8000; 20% glycerol, pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
