5O5Z

CRYSTAL STRUCTURE OF THERMOCOCCUS LITORALIS ADP-DEPENDENT GLUCOKINASE (GK)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.8233
Spacegroup name	P 21 21 21
Unit cell lengths	96.282, 97.835, 113.534
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.729 - 2.441
R-factor	0.1963
Rwork	0.195
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	wwPDB 4B8R
RMSD bond length	0.003
RMSD bond angle	0.612
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.729	2.529
High resolution limit [Å]	2.441	2.441
Rmerge	0.076	0.740
Rmeas	0.084
Number of reflections	40470	3972
<I/σ(I)>	14.56
Completeness [%]	100.0	100
Redundancy	6.2	6.3
CC(1/2)	0.998	0.890

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, 5 mM Mg2+-ADPbetaS