3GBU

Crystal structure of an uncharacterized sugar kinase PH1459 from Pyrococcus horikoshii in complex with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	71.148, 119.422, 178.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.660 - 2.200
R-factor	0.216
Rwork	0.216
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ewm
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.200
Number of reflections	78203
<I/σ(I)>	3.2
Completeness [%]	97.8
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	18% PEG 8000, 0.2M Calcium acetate, 0.1M Sodium cacodylate pH 6.5, ATP, VAPOR DIFFUSION, SITTING DROP, temperature 291K