4YH5

Lipomyces starkeyi levoglucosan kinase bound to ADP and Manganese

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-12
Detector	RAYONIX MX-300
Wavelength(s)	1.89199
Spacegroup name	P 41 21 2
Unit cell lengths	114.440, 114.440, 232.484
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.210 - 1.900
R-factor	0.156
Rwork	0.155
R-free	0.17400
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.069
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.210	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.104	0.569
Number of reflections	121746
<I/σ(I)>	4.2
Completeness [%]	99.9
Redundancy	19.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	Equal volumes of reservoir buffer (18% PEG 4000, 0.1 M sodium acetate, 0.1 M Tris pH 7.2) and LGK (7 mg/ml) in crystallization buffer (50 mM NaCl, 2 mM ADP, 5 mM Manganese(II) chloride tetrahydrate, 25 mM levoglucosan, 0.5 mM TCEP, 20 mM Tris pH 7.5) were mixed.