6MUH

Fluoroacetate dehalogenase, room temperature structure solved by serial 1 degree oscillation crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F3
Synchrotron site	CHESS
Beamline	F3
Temperature [K]	298
Detector technology	PIXEL
Collection date	2018-03-04
Detector	DECTRIS EIGER X 1M
Wavelength(s)	1.2155
Spacegroup name	P 1 21 1
Unit cell lengths	41.600, 79.100, 83.800
Unit cell angles	90.00, 103.00, 90.00

Refinement procedure

Resolution	40.826 - 1.800
R-factor	0.1533
Rwork	0.152
R-free	0.18130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fsx
RMSD bond length	0.007
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.826	1.864
High resolution limit [Å]	1.800	1.800
Rmeas	0.188	0.037
Number of reflections	48288	4597
<I/σ(I)>	9.33
Completeness [%]	98.4
Redundancy	6.3
CC(1/2)	0.993	0.176

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.5 mM defluorinase with a mother liquor of 16-20% PEG 3350, 100mM Tris-Cl pH 8.5, and 200mM CaCl2