5BVC

Crystal structure of Lipomyces starkeyi levoglucosan kinase bound to ADP, magnesium and levoglucosan in an alternate orientation.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12709
Spacegroup name	P 41 21 2
Unit cell lengths	70.250, 70.250, 264.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.270 - 2.000
R-factor	0.2051
Rwork	0.204
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yh5
RMSD bond length	0.008
RMSD bond angle	1.117
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.270	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.100	0.592
Number of reflections	44939
<I/σ(I)>	6.2	2
Completeness [%]	98.5	99.9
Redundancy	3.3	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	Equal amounts of LGK (25 mg/ml) in crystallization buffer (100 mM NaCl, 0.5 mM TCEP, 20 mM Tris pH 7.5, 2 mM ADP, 4 mM MgCl, 1 mM aluminum nitrate and 10 mM sodium fluoride) and crystallization buffer (1.3 M sodium malonate, 0.093 M Bis-Tris Propane pH 7.0) were mixed and and a resultant crystal was soaked with 200 mM levoglucosan.