8YAI

Crystal structure of glucose 1-dehydrogenase mutant1 from Limosilactobacillus fermentum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	61.205, 104.514, 72.331
Unit cell angles	90.00, 110.96, 90.00

Refinement procedure

Resolution	28.580 - 2.130
R-factor	0.1842
Rwork	0.183
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7p7y
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.200
High resolution limit [Å]	2.120	4.560	2.120
Rmerge	0.163	0.097	0.583
Rmeas	0.175	0.104	0.660
Rpim	0.064	0.037	0.303
Total number of observations	289070
Number of reflections	45668	4649	4458
<I/σ(I)>	3.5
Completeness [%]	98.6	98.6	96.9
Redundancy	6.3	7.5	4.3
CC(1/2)		0.996	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	295	0.1M Na Citrate pH 5.6, 0.15M NH4Ac, 29% PEG 4000