4GZS
N2 neuraminidase D151G mutant of a/Tanzania/205/2010 H3N2 in complex with hepes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.812, 110.205, 110.587 |
| Unit cell angles | 90.00, 97.46, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.350 |
| R-factor | 0.22821 |
| Rwork | 0.225 |
| R-free | 0.28741 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gzo |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.556 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.118 | 0.473 |
| Number of reflections | 74532 | |
| <I/σ(I)> | 13.2 | 1.9 |
| Completeness [%] | 92.1 | 63.2 |
| Redundancy | 3.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 295 | 0.1 M hepes, 17-25% PEG 8000, pH 7.5, VAPOR DIFFUSION, temperature 295K |
