5O5X

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)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	95.190, 99.270, 113.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.729 - 2.148
R-factor	0.1951
Rwork	0.194
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b8r
RMSD bond length	0.003
RMSD bond angle	0.542
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.730	2.225
High resolution limit [Å]	2.148	2.148
Rmerge	0.053	0.912
Rmeas	0.060
Rpim	0.028	0.479
Number of reflections	58644	5574
<I/σ(I)>	14.24
Completeness [%]	98.9	95.59
Redundancy	4.4	4.4
CC(1/2)	0.999	0.677

Crystallization Conditions

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