8ID0

Crystal structure of PflD bound to 1,5-anhydromannitol-6-phosphate in Streptococcus dysgalactiae subsp. equisimilis

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	P 62
Unit cell lengths	183.912, 183.912, 60.025
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.199 - 2.340
R-factor	0.1583
Rwork	0.157
R-free	0.19290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.843
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	159.270	2.400
High resolution limit [Å]	2.340	2.340
Rmerge	0.199	1.792
Rmeas	0.317
Rpim	0.105	0.820
Number of reflections	49308	3629
<I/σ(I)>	12.3
Completeness [%]	100.0
Redundancy	9.6	8
CC(1/2)	0.983	0.446

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	1.2 M sodium citrate, 0.1 M sodium HEPES, pH 8.0, 10 mM 1,5-anhydromannitol-6-phosphate