3O8M

Crystal structure of monomeric KlHxk1 in crystal form XI with glucose bound (closed state)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	P 21 21 21
Unit cell lengths	64.575, 75.599, 103.857
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.700 - 1.420
R-factor	0.18694
Rwork	0.187
R-free	0.21578
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o08
RMSD bond length	0.028
RMSD bond angle	2.313
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.460
High resolution limit [Å]	1.420	1.420
Number of reflections	92838
<I/σ(I)>	22.6	2.9
Completeness [%]	96.2	72.7
Redundancy	7.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	0.2microL reservoir + 0.2microL protein, reservoir: 20% PEG6000, 1M LiCl, 0.1M Hepes pH 7.0, protein: 6.6mg/ml KlHxk1, 10mM Tris pH 7.4, 1mM EDTA, 1mM DTT, 0.5mM PMSF, 10mM AMPPNP, 10mM Glucose, 10mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 292K