7AJ0
Crystal structure of PsFucS1 sulfatase from Pseudoalteromonas sp.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-10 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9801 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.198, 182.337, 209.855 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.660 - 2.500 |
R-factor | 0.1735 |
Rwork | 0.172 |
R-free | 0.21040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fdj |
RMSD bond length | 0.003 |
RMSD bond angle | 0.595 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.340 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.375 | 1.985 |
Rmeas | 0.390 | 2.061 |
Rpim | 0.105 | 0.551 |
Number of reflections | 115081 | 78787 |
<I/σ(I)> | 8.5 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.6 | 14 |
CC(1/2) | 0.991 | 0.691 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M sodium acetate pH 4.6 0.1 M sodium chloride 20% (w/v) PEG 3350 |