9KT0

Complex structure of PcApiGT/UDP/Genistein 7-O-glucoside

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-24
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	75.230, 75.230, 161.624
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.580 - 2.170
R-factor	0.2585
Rwork	0.257
R-free	0.29770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.048
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.150	2.290
High resolution limit [Å]	2.170	2.170
Number of reflections	28864	4141
<I/σ(I)>	9.3
Completeness [%]	100.0
Redundancy	19.8
CC(1/2)	0.999	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	25% w/v polyethylene glycol 3,350, 0.2 M Ammonium acetate, 0.1 M BIS-TRIS pH 5.5