6QKT

Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 24hr - Glycolate bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	293
Detector technology	CCD
Collection date	2016-01-19
Detector	RIGAKU SATURN A200
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	41.850, 79.510, 84.830
Unit cell angles	90.00, 102.84, 90.00

Refinement procedure

Resolution	28.660 - 1.512
R-factor	0.1778
Rwork	0.176
R-free	0.20520
RMSD bond length	0.011
RMSD bond angle	1.142
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]	28.660	1.566
High resolution limit [Å]	1.512	1.512
Number of reflections	83093
<I/σ(I)>	26.2
Completeness [%]	98.2
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	18-20% PEG3350, 200 mM CaCl2, and 100 mM Tris-HCl pH 8.5