7X4R

Crystal structure of Bacteroides thetaiotaomicron glutamate decarboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	110.064, 132.189, 109.892
Unit cell angles	90.00, 100.35, 90.00

Refinement procedure

Resolution	48.650 - 2.600
R-factor	0.1956
Rwork	0.191
R-free	0.22770
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	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.115	0.059	0.763
Rmeas	0.133	0.068	0.880
Rpim	0.064	0.034	0.428
Total number of observations	376488
Number of reflections	92291	9634	9359
<I/σ(I)>	9.6
Completeness [%]	95.8	98.4	97
Redundancy	4.1	4.2	3.9
CC(1/2)		0.994	0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	15% PEG 3350, 6% pH4.0 TacsimateTM