7S49

Crystal Structure of Inhibitor-bound Galactokinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-25
Detector	PSI PILATUS 6M
Wavelength(s)	1.1271
Spacegroup name	P 61 2 2
Unit cell lengths	129.407, 129.407, 240.548
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.1601
Rwork	0.158
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wuu
RMSD bond length	0.011
RMSD bond angle	1.741
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.280
High resolution limit [Å]	2.200	4.730	2.200
Rmerge	0.175	0.118
Rmeas	0.177	0.118
Rpim	0.023	0.012	0.375
Total number of observations	2588926
Number of reflections	60586	6555	5704
<I/σ(I)>	7.2
Completeness [%]	99.3	100	95.3
Redundancy	42.7	88.5	16.5
CC(1/2)		0.999	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	286	Seeding into drops containing GALK protein at 8 mg/ml, 2.3M Na/K pH6.8