5BSB

Lipomyces starkeyi levoglucosan kinase bound to levoglucosan

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	2014-10-02
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 41 21 2
Unit cell lengths	70.320, 70.320, 263.334
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.860 - 1.850
R-factor	0.1949
Rwork	0.194
R-free	0.21920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yh5
RMSD bond length	0.006
RMSD bond angle	1.035
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]	48.860	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.096	0.861
Number of reflections	57761
<I/σ(I)>	9.8	1.9
Completeness [%]	100.0	100
Redundancy	5.6	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	296	Equal amounts of LGK (9 mg/ml) in 50 mM NaCl, 0.5 mM TCEP, 20 mM Tris pH 7.5 and 200 mM levoglucosan were mixed with reservoir buffer containing 1.8 M ammonium sulfate, 0.1 M HEPES 7.0 and 0.1 M sodium acetate.