6QKU

Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Chloroacetate 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	2016-02-10
Detector	RIGAKU SATURN A200
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	41.830, 79.550, 84.980
Unit cell angles	90.00, 103.31, 90.00

Refinement procedure

Resolution	19.575 - 1.511
R-factor	0.1751
Rwork	0.174
R-free	0.20200
RMSD bond length	0.009
RMSD bond angle	1.027
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]	19.575	1.565
High resolution limit [Å]	1.511	1.511
Number of reflections	76924
<I/σ(I)>	20.16
Completeness [%]	90.8
Redundancy	3.7

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