7RK2
Crystal structure of the human astrovirus serotype 8 capsid spike in complex with scFv 2D9, an astrovirus-neutralizing antibody, at 2.65-A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-09 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.115830 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.592, 97.340, 208.307 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 104.150 - 2.650 |
R-factor | 0.2201 |
Rwork | 0.218 |
R-free | 0.24690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qsq |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 208.310 | 208.310 | 2.780 |
High resolution limit [Å] | 2.650 | 8.790 | 2.650 |
Rmerge | 0.451 | 0.088 | 3.877 |
Rmeas | 0.454 | 0.089 | 3.907 |
Rpim | 0.051 | 0.011 | 0.471 |
Total number of observations | 2317578 | 66926 | 264311 |
Number of reflections | 30304 | 967 | 3968 |
<I/σ(I)> | 16 | 43 | 2 |
Completeness [%] | 100.0 | 100 | 99.8 |
Redundancy | 76.5 | 69.2 | 66.6 |
CC(1/2) | 0.998 | 1.000 | 0.692 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295.15 | 0.1 M ammonium acetate, 0.1 M Bis-Tris pH 5.5, 16 % PEG 10,000 |