5O0J

ADP-dependent glucokinase from Pyrococcus horikoshii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	115.838, 74.714, 62.951
Unit cell angles	90.00, 99.46, 90.00

Refinement procedure

Resolution	45.977 - 1.810
R-factor	0.1626
Rwork	0.161
R-free	0.20190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l2l
RMSD bond length	0.007
RMSD bond angle	0.957
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.190	1.875
High resolution limit [Å]	1.810	1.810
Rmeas	0.109	0.694
Number of reflections	46884
<I/σ(I)>	9.17	1.81
Completeness [%]	97.1	96
Redundancy	3.39	3.5
CC(1/2)	0.996	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	ammonium nitrate (0.2 M) and polyethylene glycol 3350 (20%)