6TJA
Crystal structure of the SVS_A2 protein (W79F,G83L mutant) from ancestral sequence reconstruction at 2.27 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) | 0.91841 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.754, 104.928, 108.694 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.430 - 2.270 |
R-factor | 0.1844 |
Rwork | 0.182 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4okz |
RMSD bond length | 0.010 |
RMSD bond angle | 1.627 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.430 | 2.340 |
High resolution limit [Å] | 2.270 | 2.270 |
Rmerge | 0.100 | 0.528 |
Rpim | 0.050 | 0.264 |
Number of reflections | 40139 | 3637 |
<I/σ(I)> | 9.7 | 2.7 |
Completeness [%] | 99.8 | 99.6 |
Redundancy | 5.6 | |
CC(1/2) | 0.976 | 0.853 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 0.2M Na phosphate 0.1M Bis-Tris-Propane pH 7.2 12% PEG 3350 Cryoprotection: 0.2M Na phosphate 0.1M Bis-Tris-Propane pH 7.2 20% PEG 3350 5mM MgCl2 FPP |