9DUC

Wild-Type E. coli Glucokinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU PhotonJet-S
Temperature [K]	297
Detector technology	PIXEL
Collection date	2023-12-21
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	82.106, 82.106, 237.927
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.740 - 2.630
R-factor	0.193
Rwork	0.191
R-free	0.23020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.504
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.740	29.740	2.760
High resolution limit [Å]	2.630	8.720	2.630
Rmerge	0.216	0.069	0.931
Rmeas	0.228	0.075	0.980
Rpim	0.072	0.029	0.304
Number of reflections	25056	743	3266
<I/σ(I)>	9.2	15.9	3.7
Completeness [%]	99.8	93	100
Redundancy	9.9	5.8	10.7
CC(1/2)	0.991	0.994	0.743
Anomalous redundancy	5.2	3.5	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	100 mM Tris HCl/ Sodium hydroxide pH 8.5, 200 mM Lithium sulfate, 20% (w/v) PEG 5000mME