5O5Y

Crystal structure of Thermococcus litoralis ADP-dependent glucokinase (GK)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	96.640, 97.610, 113.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.122 - 1.915
R-factor	0.1727
Rwork	0.171
R-free	0.20880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5o5x
RMSD bond length	0.007
RMSD bond angle	0.834
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.122	1.983
High resolution limit [Å]	1.915	1.915
Rmerge	0.078	0.741
Rmeas	0.083	0.792
Number of reflections	82817	7810
<I/σ(I)>	15.81	2.45
Completeness [%]	99.0	95
Redundancy	8.4	7.7
CC(1/2)	0.999	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M lithium sulfate, 20% (w/v) PEG 3350, 30 mM glucose