3Q3A
Crystal Structure of P Domain from Norwalk Virus Strain Vietnam 026 in complex with HBGA type H2 (triglycan)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2010-08-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.168, 79.104, 68.912 |
| Unit cell angles | 90.00, 99.54, 90.00 |
Refinement procedure
| Resolution | 28.171 - 1.400 |
| R-factor | 0.1698 |
| Rwork | 0.169 |
| R-free | 0.18810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3onu |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.244 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER ((2.1.4)) |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.171 | 1.440 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 135108 | |
| <I/σ(I)> | 21.33 | 2.32 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.74 | 3.69 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M Imidazole, 8.25% (w/v) PEG 8000, 1% (v/v) MPD, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.5 |
