9FVT
Crystal structure of marine sulfatase (OpSulf1) from Ochrovirga pacifica
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033190 |
Spacegroup name | P 43 |
Unit cell lengths | 115.268, 115.268, 169.831 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.330 - 1.490 |
Rwork | 0.166 |
R-free | 0.19600 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS (3.1.9) |
Data scaling software | Aimless (0.7.13) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.330 | 1.510 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.087 | 1.786 |
Rmeas | 0.090 | 1.858 |
Rpim | 0.024 | 0.508 |
Total number of observations | 4949008 | 233469 |
Number of reflections | 360000 | 17629 |
<I/σ(I)> | 16.8 | 1.7 |
Completeness [%] | 99.9 | |
Redundancy | 13.7 | 13.2 |
CC(1/2) | 0.999 | 0.605 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 20 % w/v Polyethylene glycol 3,350 200 mM Potassium chloride 20 % v/v Glycerol |