4QVJ
Unliganded crystal structure of Feline Norovirus P Domain co-crystallized with N-acetylneuraminic acid
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 | 2013-04-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.978196 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.700, 99.600, 129.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.920 - 2.260 |
R-factor | 0.2164 |
Rwork | 0.213 |
R-free | 0.27100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.893 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.2) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.927 | 49.920 | 2.150 |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.171 | 0.055 | 0.634 |
Rmeas | 0.063 | 0.731 | |
Number of reflections | 43867 | 570 | 2773 |
<I/σ(I)> | 7.32 | 15.86 | 2.16 |
Completeness [%] | 98.3 | 94.7 | 85.1 |
Redundancy | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | PEG 4000, Glycerol, 2-propanol, Sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |