4EUM

Crystal structure of a sugar kinase (Target EFI-502132) from Oceanicola granulosus with bound AMP, crystal form II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-19
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	79.540, 49.528, 83.267
Unit cell angles	90.00, 101.50, 90.00

Refinement procedure

Resolution	27.198 - 1.800
R-factor	0.1786
Rwork	0.176
R-free	0.22070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lhx
RMSD bond length	0.007
RMSD bond angle	1.109
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	81.595	77.943	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge		0.039	0.645
Total number of observations		5443	26412
Number of reflections	56642
<I/σ(I)>	8.8	16.7	1.2
Completeness [%]	95.8	82.6	95.9
Redundancy	3.4	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SITTING DROP, VAPOR DIFFUSION	4	298	protein (10 mM HEPES, pH 7.5, 150 mM sodium chloride, 10% glycerol, 1 mM DTT, 5 mM AMP-PNP), reservoir (0.2 M magnesium chloride, 0.1 M Bis-Tris, pH 6.5, 25% PEG3350), cryoprotectant (reservoir + 20% glycerol), SITTING DROP, VAPOR DIFFUSION, temperature 298K