9F3O

Crystal structure of the open state of apo Kluyveromyces lactis glucokinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-09-30
Detector	MAR CCD 165 mm
Wavelength(s)	0.91841
Spacegroup name	P 61 2 2
Unit cell lengths	116.433, 116.433, 377.053
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.020 - 3.080
R-factor	0.2151
Rwork	0.213
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.476
Data reduction software	XDS (VERSION Feb 5, 2021 BUILT=20210205)
Data scaling software	XSCALE (VERSION Feb 5, 2021 BUILT=20210205)
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.020	3.270
High resolution limit [Å]	3.080	3.080
Number of reflections	28489	4437
<I/σ(I)>	15.9
Completeness [%]	98.7	97.2
Redundancy	6.5	6.4
CC(1/2)	0.998	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	droplet: 1:1 mixture of protein and reservoir protein supplemented with: 10 mM MgCl2 10 mM AMPPNP reservoir solution: 100 mM Na citrate (pH 3.0) 1.5 M Na malonate