8ID7

Crystal structure of YbiW in complex with 1,5-anhydroglucitol-6-phosphate in Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	F 2 2 2
Unit cell lengths	116.480, 207.170, 208.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.482 - 2.650
R-factor	0.226
Rwork	0.223
R-free	0.28370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.008
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.270	2.720
High resolution limit [Å]	2.650	2.650
Rmerge	0.193	1.589
Rmeas	0.211	1.722
Rpim	0.085	0.660
Total number of observations	232578	18068
Number of reflections	36549	2668
<I/σ(I)>	7.7	1.3
Completeness [%]	99.9
Redundancy	6.4	6.8
CC(1/2)	0.991	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.2 M sodium chloride, 0.1M Tris, pH 8.0, 25% (w/v) PEG3350, 10 mM 1,5-anhydroglucitol-6-phosphate