7X4L

Crystal structure of Bacteroides thetaiotaomicron glutamate decarboxylase mutant Y303F-PLP complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	155.449, 176.383, 176.797
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.400 - 2.590
R-factor	0.2039
Rwork	0.203
R-free	0.21370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pmm
RMSD bond length	0.003
RMSD bond angle	0.629
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]	2.590	5.600	2.600
Rmerge	0.079	0.041	0.732
Rmeas	0.086	0.046	0.801
Rpim	0.034	0.019	0.322
Number of reflections	150645	15563	14902
<I/σ(I)>	10.5
Completeness [%]	99.8	99.2	99.8
Redundancy	6.2	5.6	6
CC(1/2)	0.995	0.998	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	24% PEG MME 2000, 0.1M pH7.0 Imidole, 0.2M Ammonium citrate, 1% Ethyl acetate