7AE7

Structure of Sedimentibacter hydroxybenzoicus vanillic acid decarboxylase (ShVdcCD) in open form, with truncated ShVdcD (V59X)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	77
Detector technology	PIXEL
Collection date	2018-05-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	101.553, 200.945, 201.991
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.420 - 2.660
R-factor	0.1822
Rwork	0.180
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m1c
RMSD bond length	0.003
RMSD bond angle	0.662
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.430	2.755
High resolution limit [Å]	2.660	2.660
Number of reflections	119314	11673
<I/σ(I)>	8.25	2.79
Completeness [%]	99.8
Redundancy	21.5
CC(1/2)	0.988	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	JCSG-Plus B8 (0.2 M Magnesium chloride hexahydrate, 0.1 M Tris, pH7, 10% PEG 8000