8S9J
FphA, Staphylococcus aureus fluorophosphonate-binding serine hydrolases A, 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 | 2023-02-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 313.042, 313.042, 185.672 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.500 - 2.250 |
R-factor | 0.2428 |
Rwork | 0.241 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.013 |
Data reduction software | XDS (20220220) |
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] | 49.500 | 2.280 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.122 | 1.435 |
Rmeas | 0.131 | 1.539 |
Rpim | 0.046 | 0.549 |
Total number of observations | 1656348 | 76466 |
Number of reflections | 212752 | 10338 |
<I/σ(I)> | 11 | 1.4 |
Completeness [%] | 98.7 | |
Redundancy | 7.8 | 7.4 |
CC(1/2) | 0.998 | 0.587 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289.15 | 2uL 7.1 mg/ml FphA (10mM HEPES pH 7.5, 100mM NaCl) were mixed with 1ul of reservoir solution. Sitting drop reservoir contained 30ul of 1.35M ammonium sulfate, 0.09M sodium acetate pH 4.6, 4% v/v acetone. Crystal appeared after 30 days at 16C and grew larger for another 2 months when it was frozen in a solution of ~25% glycerol, 75% reservoir. |