4ZLU

Lipomyces starkeyi levoglucosan kinase bound to levoglucosan, 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	2013-02-12
Detector	RAYONIX MX-300
Wavelength(s)	0.97945
Spacegroup name	P 41 21 2
Unit cell lengths	114.857, 114.857, 234.766
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.057 - 1.800
R-factor	0.1892
Rwork	0.188
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yh5
RMSD bond length	0.008
RMSD bond angle	1.145
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]	47.570	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.101	0.719
Number of reflections	145247
<I/σ(I)>	9.1	2.2
Completeness [%]	99.9	99.7
Redundancy	3.9	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	298	Equal volumes of reservoir buffer (19% PEG4000, 0.1 M sodium acetate, 0.1 M Tris pH 6.8) and LGK (7 mg/ml) in crystallization buffer (50 mM NaCl, 2 mM ADP, 4 mM MgCl2, 0.5 mM TCEP, 1 mM aluminum nitrate, 10 mM sodium fluoride, 20 mM Tris pH 7.5) were mixed and a resulting crystal was then soaked with 100 mM levoglucosan for 10 minutes.