4QVA
Unliganded crystal structure of Feline Norovirus P Domain co-crystallized with N-glycolylneuraminic 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 | 2013-04-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.978131 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.530, 99.380, 69.340 |
Unit cell angles | 90.00, 111.04, 90.00 |
Refinement procedure
Resolution | 35.527 - 2.180 |
R-factor | 0.1976 |
Rwork | 0.196 |
R-free | 0.22820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.992 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.3) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.600 | 45.600 | 2.160 |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.132 | 0.035 | 0.520 |
Rmeas | 0.043 | 0.644 | |
Number of reflections | 39483 | 395 | 2842 |
<I/σ(I)> | 6.97 | 22.69 | 2.17 |
Completeness [%] | 92.7 | 77.8 | 90.5 |
Redundancy | 2.8 |
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 |