4X0C
Crystal structure of P domain from norovirus strain NSW0514 in complex with HBGA type Lex (triglycan)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.978196 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 104.830, 104.830, 191.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.142 - 1.720 |
| R-factor | 0.1606 |
| Rwork | 0.160 |
| R-free | 0.17950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oos |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.297 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.3) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.950 | 1.750 | |
| High resolution limit [Å] | 1.700 | 7.610 | 1.700 |
| Rmerge | 0.068 | 0.013 | 1.286 |
| Rmeas | 0.080 | 0.016 | 1.513 |
| Total number of observations | 421454 | ||
| Number of reflections | 116084 | 1389 | 8319 |
| <I/σ(I)> | 15.62 | 65.59 | 1.2 |
| Completeness [%] | 99.2 | 90.5 | 97.6 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG 3350, Sodium formate |
