7A19

2,3-Dihydroxybenzoate Decarboxylase of Aspergillus oryzae

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	2017-04-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 43 21 2
Unit cell lengths	99.794, 99.794, 129.177
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.640 - 1.210
R-factor	0.1426
Rwork	0.141
R-free	0.17130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dvt
RMSD bond length	0.007
RMSD bond angle	0.994
Data reduction software	DIALS
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.640	1.254
High resolution limit [Å]	1.210	1.210
Rmerge	0.123	0.764
Number of reflections	165014	2990
<I/σ(I)>	6.99	1.07
Completeness [%]	83.1
Redundancy	4.2
CC(1/2)	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.1 M magnesium chloride 0.1 M Na HEPES 7.5 10 % w/v PEG 4000