3AST
Crystal structure of P domain Q389N mutant from Norovirus Funabashi258 stain in the complex with Lewis-b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2010-10-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 |
| Unit cell lengths | 74.966, 74.966, 107.250 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.920 - 1.400 |
| R-factor | 0.19752 |
| Rwork | 0.197 |
| R-free | 0.21201 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ass |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.054 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 3.020 | 1.400 |
| Rmerge | 0.082 | 0.078 | 0.190 |
| Number of reflections | 124888 | ||
| <I/σ(I)> | 30.4 | ||
| Completeness [%] | 94.8 | 56.3 | 98.2 |
| Redundancy | 8 | 6.7 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 4.6 | 298 | PEG 6000, hexanediol, pH 4.6, hanging drop, temperature 298K |
