5KOU
Crystal structure of the human astrovirus 2 capsid protein spike domain at 1.87-A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-18 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.033202 |
Spacegroup name | P 1 |
Unit cell lengths | 44.070, 67.720, 90.530 |
Unit cell angles | 76.53, 80.52, 86.29 |
Refinement procedure
Resolution | 47.578 - 1.867 |
R-factor | 0.1943 |
Rwork | 0.193 |
R-free | 0.21490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qsq |
RMSD bond length | 0.004 |
RMSD bond angle | 0.706 |
Data reduction software | iMOSFLM (7.1.1) |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER (6.5.0) |
Refinement software | PHENIX ((1.10_2152: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.580 | 47.580 | 1.970 |
High resolution limit [Å] | 1.867 | 5.900 | 1.867 |
Rmerge | 0.073 | 0.035 | 0.445 |
Number of reflections | 80310 | ||
<I/σ(I)> | 7.3 | ||
Completeness [%] | 96.3 | 94.4 | 93.6 |
Redundancy | 2 | 1.9 | 2 |
CC(1/2) | 0.987 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | PEG 3350, sodium citrate, ammonium sulfate |