6QKW

Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 2hr

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	41.750, 79.370, 85.010
Unit cell angles	90.00, 103.01, 90.00

Refinement procedure

Resolution	28.653 - 1.512
R-factor	0.17
Rwork	0.169
R-free	0.19520
RMSD bond length	0.010
RMSD bond angle	1.137
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]	28.653	1.566
High resolution limit [Å]	1.512	1.512
Number of reflections	81991
<I/σ(I)>	25.51
Completeness [%]	97.2
Redundancy	3.3

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