4ZFV

Lipomyces starkeyi levoglucosan kinase bound to ADP and magnesium.

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	2012-05-30
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	114.399, 114.399, 232.499
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.200 - 1.500
R-factor	0.1584
Rwork	0.158
R-free	0.17420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yh5
RMSD bond length	0.007
RMSD bond angle	1.095
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.200	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.099	0.787
Number of reflections	244767
<I/σ(I)>	10.3	2.1
Completeness [%]	99.9	100
Redundancy	5.6	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	296	Equal volumes of reservoir buffer (22% polyethylene glycol (PEG) 4000, 0.1 M sodium acetate, 0.1 M Tris pH 7.5) and LGK (7 mg/ml) in crystallization buffer (50 mM NaCl, 2 mM ADP, 4 mM MgCl2 , 0.5 mM TCEP, 20 mM Tris pH 7.5) were mixed.