8ZUW

Crystal structure of Bacteroides thetaiotaomicron glutamate decarboxylase

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	2021-07-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	109.228, 124.897, 109.622
Unit cell angles	90.00, 100.52, 90.00

Refinement procedure

Resolution	50.150 - 2.460
R-factor	0.1864
Rwork	0.181
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7x52
RMSD bond length	0.009
RMSD bond angle	1.057
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]	50.150	50.000	2.480
High resolution limit [Å]	2.440	6.620	2.440
Rmerge	0.196	0.136	0.334
Rmeas	0.222	0.153	0.407
Rpim	0.102	0.069	0.228
Number of reflections	100824	5075	4295
<I/σ(I)>	3.3
Completeness [%]	96.4	94.5	82.2
Redundancy	4.2	4.5	2.5
CC(1/2)	0.952	0.976	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	16% (w/v) PEG3350/0.06M Citric acid/0.04 M BIS-Tris propane pH 4.1