8G0N
FphI, Staphylococcus aureus fluorophosphonate-binding serine hydrolases I, 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 | 2022-03-17 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9536 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.457, 60.742, 76.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.540 - 1.140 |
R-factor | 0.1324 |
Rwork | 0.132 |
R-free | 0.14510 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.981 |
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] | 47.540 | 1.160 |
High resolution limit [Å] | 1.140 | 1.140 |
Rmerge | 0.046 | 0.837 |
Rmeas | 0.049 | 0.907 |
Rpim | 0.016 | 0.336 |
Total number of observations | 825837 | 23112 |
Number of reflections | 87208 | 3513 |
<I/σ(I)> | 19.7 | 2 |
Completeness [%] | 98.9 | |
Redundancy | 9.5 | 6.6 |
CC(1/2) | 0.999 | 0.785 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289.15 | 0.2 ul 10.2 mg/ml FphI (20mM Tris pH 8.0, 150mM NaCl) were mixed with 0.2 ul of reservoir solution. Sitting drop reservoir contained 200mM Magnesium chloride hexahydrate, 100mM MES pH 6.0 and 20% w/v PEG 6000. Crystal appeared within a day at 16C and grew until day 2.5. Crystal was incubated for ~10s in a solution of ~25% glycerol, 75% reservoir prior to freezing. |