5O3N

Crystal structure of E. cloacae 3,4-dihydroxybenzoic acid decarboxylase (AroY) reconstituted with prFMN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	H 3 2
Unit cell lengths	208.310, 208.310, 157.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.067 - 2.050
Rwork	0.184
R-free	0.20510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.801
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((dev_2689: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.070	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.061
Number of reflections	81470	7073
<I/σ(I)>	15.2	1.2
Completeness [%]	99.4	99.9
Redundancy	5.1	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	294	Morpheus (Molecular Dimensions) A11 0.06 M Divalents (MgCl2/CaCl2) 0.1 M Tris(base)/Bicine 30% Glycerol/PEG 4k