7A1A

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	2017-04-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 43 21 2
Unit cell lengths	99.894, 99.894, 129.168
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.950 - 1.530
R-factor	0.1936
Rwork	0.192
R-free	0.22470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dvt
RMSD bond length	0.007
RMSD bond angle	0.847
Data reduction software	DIALS
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.950	1.584
High resolution limit [Å]	1.530	1.530
Rmerge	0.228	0.896
Rmeas	0.233
Rpim	0.050
Number of reflections	98740	9747
<I/σ(I)>	8.94	1.82
Completeness [%]	99.6	99.08
Redundancy	23.7	24.5
CC(1/2)	0.986	0.959

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293.15	0.1M calcium acetate, 0.1M sodium acetate 4.5, 10% w/v PEG 4000