5TKR

Crystal structure of a Lipomyces starkeyi levoglucosan kinase G359R mutant

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	2015-05-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97947
Spacegroup name	P 41 21 2
Unit cell lengths	70.060, 70.060, 261.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.081 - 1.800
R-factor	0.1767
Rwork	0.175
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bsb
RMSD bond length	0.008
RMSD bond angle	0.828
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.330	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.133	1.045
Number of reflections	61638
<I/σ(I)>	9.4	1.7
Completeness [%]	99.9	100
Redundancy	6.7	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	Crystals were grown using the hanging drop vapor-diffusion method by mixing equal volumes of reservoir buffer (22% PEG3350, 0.2 M K2SO4, 100 mM Tris pH 6.8) and LGK (23 mg/ml) in crystallization buffer (50 mM NaCl, 2 mM ADP, 4 mM MgCl2 , 0.5 mM TCEP, 20 mM Tris pH 7.5).