6W54

Crystal Structure of Gallic Acid Decarboxylase from Arxula adeninivorans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	81.971, 81.971, 103.055
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.700 - 1.500
R-factor	0.1414
Rwork	0.140
R-free	0.16620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Unpublished
RMSD bond length	0.008
RMSD bond angle	0.981
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.530
High resolution limit [Å]	1.500	1.500
Rmeas	0.094	0.357
Rpim	0.044	0.236
Number of reflections	36574	689
<I/σ(I)>	43	5.8
Completeness [%]	88.5	33.8
Redundancy	4.1	2
CC(1/2)	0.950	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	PEG 3350, Potassium Formate, MES