6SIT
Pseudo-atomic crystal structure of the desmoglein 2 - human adenovirus serotype 3 fibre knob complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-12 |
Detector | DECTRIS PILATUS3 X 2M |
Wavelength(s) | 0.8731 |
Spacegroup name | I 21 3 |
Unit cell lengths | 146.530, 146.530, 146.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.500 - 4.500 |
Rwork | 0.367 |
R-free | 0.37000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h7z |
RMSD bond length | 0.016 |
RMSD bond angle | 2.388 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.510 | 46.340 | 4.650 |
High resolution limit [Å] | 4.490 | 17.380 | 4.490 |
Rmerge | 0.093 | 0.038 | 1.259 |
Rmeas | 0.108 | 0.045 | 1.585 |
Rpim | 0.053 | 0.023 | 0.944 |
Number of reflections | 3184 | 59 | 273 |
<I/σ(I)> | 6.5 | 22.7 | 0.6 |
Completeness [%] | 97.9 | 90.7 | 87.4 |
Redundancy | 3.8 | 3.6 | 2.4 |
CC(1/2) | 0.997 | 0.997 | 0.211 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 7 mg/mL complex in 20 mM Tris-HCl, pH 8, 150 mM NaCl, 3 mM CaCl2 using a reservoir solution of 15 % PEG 3350, 0.2 M (NH4)2SO4, 0.1 M Na-acetate pH 4.6 |