6THU
Crystal structure of the SVS_A2 protein (A224I mutant) from ancestral sequence reconstruction at 2.6 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.91842 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.910, 105.094, 108.253 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.000 - 2.600 |
R-factor | 0.1911 |
Rwork | 0.190 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4okz |
RMSD bond length | 0.008 |
RMSD bond angle | 1.574 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.020 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.072 | 0.700 |
Rpim | 0.033 | 0.312 |
Number of reflections | 26961 | 3237 |
<I/σ(I)> | 15.1 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.6 | 6.9 |
CC(1/2) | 0.999 | 0.801 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2M Na phosphate 0.1M Bis-Tris-Propane pH 6.5 12% PEG 3350 Cryoprotection 0.2M Na phosphate 0.1M Bis-Tris-Propane pH 6.5 20% PEG 3350 5mM MgCl2 |