8G48
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, dimeric apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 41.941, 53.820, 121.558 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.940 - 1.950 |
R-factor | 0.1844 |
Rwork | 0.182 |
R-free | 0.22720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.947 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.8) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.940 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.098 | 0.802 |
Rmeas | 0.107 | 0.878 |
Rpim | 0.043 | 0.352 |
Total number of observations | 126180 | 8309 |
Number of reflections | 20746 | 1384 |
<I/σ(I)> | 9.7 | 2.1 |
Completeness [%] | 99.5 | |
Redundancy | 6.1 | 6 |
CC(1/2) | 0.997 | 0.717 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289.15 | 0.3 ul 1.9 mg/ml FphE (10mM HEPES pH 7.6, 100mM NaCl) were mixed with 0.3 ul of reservoir solution. Sitting drop reservoir contained 25 ul of 200mM Magnesium chloride hexahydrate, 100mM Tris pH 8.5, 25% PEG 2000 MME. Crystal appeared within ~30 days at 16C. It was frozen in a solution of ~25% glycerol, 75% reservoir. |