7X52

Crystal structure of Bacteroides thetaiotaomicron glutamate decarboxylase BTGAD-PLP complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	109.765, 131.267, 109.853
Unit cell angles	90.00, 100.28, 90.00

Refinement procedure

Resolution	36.000 - 1.900
R-factor	0.1664
Rwork	0.165
R-free	0.19430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pmm
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.071	0.044	0.526
Rmeas	0.082	0.051	0.611
Rpim	0.041	0.026	0.306
Total number of observations	906940
Number of reflections	238249	23928	23755
<I/σ(I)>	7
Completeness [%]	98.9	98.1	98.9
Redundancy	3.8	3.8	3.7
CC(1/2)		0.996	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	19% PEG 3350, 1% pH4.0 TacsimateTM, 0.1M pH4.35 Sodium acetate