4ZXZ

Crystal structure of a highly thermal stable but inactive levoglucosan kinase.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	296
Detector technology	IMAGE PLATE
Collection date	2014-10-30
Detector	RIGAKU
Wavelength(s)	1.54180
Spacegroup name	P 21 21 21
Unit cell lengths	85.180, 88.950, 139.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.130 - 2.200
R-factor	0.1703
Rwork	0.168
R-free	0.21020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yh5
RMSD bond length	0.009
RMSD bond angle	1.128
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]	46.130	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.147	0.765
Number of reflections	49339
<I/σ(I)>	6.9	1.6
Completeness [%]	90.9	79
Redundancy	3.6	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	296	Crystals were grown by mixing equal volumes of reservoir buffer containing 18% PEG3350 and 500 mM ammonium tartrate and the LGK construct at 21.5 mg/ml in crystallization buffer containing 20 mM Tris pH 7.5, 50 mM NaCl and 0.5 mM TCEP.