7X4Y

Crystal structure of Bacteroides thetaiotaomicron glutamate decarboxylase BTGAD-PLP-GABA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
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	109.736, 130.689, 109.761
Unit cell angles	90.00, 100.04, 90.00

Refinement procedure

Resolution	26.490 - 1.900
R-factor	0.1825
Rwork	0.181
R-free	0.21230
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	1.940
High resolution limit [Å]	1.900	5.180	1.910
Rmerge	0.079	0.049	0.463
Rmeas	0.093	0.057	0.545
Rpim	0.047	0.028	0.283
Number of reflections	236110	11848	11767
<I/σ(I)>	4.5
Completeness [%]	99.0	97.5	99
Redundancy	3.9	4	3.6
CC(1/2)		0.996	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	13% PEG 3350, 7% pH4.0 TacsimateTM