6GR2

Structure of human galactokinase in complex with galactose and ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97619
Spacegroup name	P 1
Unit cell lengths	78.217, 110.320, 118.234
Unit cell angles	113.85, 102.26, 101.29

Refinement procedure

Resolution	54.092 - 2.490
R-factor	0.223
Rwork	0.221
R-free	0.25560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wuu
Data reduction software	xia2
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	95.760	95.760	2.550
High resolution limit [Å]	2.490	11.140	2.490
Rmerge	0.125	0.066	0.690
Rmeas	0.156	0.084	0.870
Rpim	0.093	0.051	0.522
Total number of observations	281718	3253	20892
Number of reflections	114333	1294	8425
<I/σ(I)>	4.2	7.9	1.5
Completeness [%]	97.5	99.4	97.3
Redundancy	2.5	2.5	2.5
CC(1/2)	0.949	0.965	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M cacodylate pH 6.3, 17.5% PEG8K -- 0.2M ammonium sulfate