5NY5

The apo structure of 3,4-dihydroxybenzoic acid decarboxylases from Enterobacter cloacae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-01-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9796
Spacegroup name	H 3 2
Unit cell lengths	209.907, 209.907, 162.179
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.060 - 2.501
R-factor	0.2032
Rwork	0.201
R-free	0.23590
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.560
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.060	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.118	0.779
Number of reflections	47197	4613
<I/σ(I)>	22.3
Completeness [%]	100.0	99
Redundancy	20	19.9
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.15 M L-Arginine, 0.075 M sodium acetate pH 5.0, 6 % w/v PGA protein concentrations of 5.5 and 14 mg/mL