9F3N

Crystal structure of the intermediate open state of apo Kluyveromyces lactis glucokinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 63
Unit cell lengths	177.664, 177.664, 90.026
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	76.930 - 2.650
R-factor	0.2169
Rwork	0.216
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.509
Data reduction software	DIALS (1.dev.877-g8f078f0)
Data scaling software	Aimless (0.5.31)
Phasing software	MR-Rosetta (ROSETTA 3.5)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	153.860	2.740
High resolution limit [Å]	2.560	2.650
Number of reflections	47188	4587
<I/σ(I)>	9.2	0.7
Completeness [%]	100.0	100
Redundancy	9.7	9.8
CC(1/2)	0.996	0.302

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: 9.9 mM DTT reservoir solution: 100 mM Na citrate pH 6.0 1.8 M Na malonate pH 5.7