3O80

Crystal structure of monomeric KlHxk1 in crystal form IX (open 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	2008-04-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	C 2 2 21
Unit cell lengths	118.346, 233.904, 49.744
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.590 - 2.180
R-factor	0.20009
Rwork	0.198
R-free	0.25074
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o08
RMSD bond length	0.023
RMSD bond angle	1.890
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	2.240
High resolution limit [Å]	2.180	2.180
Number of reflections	36453
<I/σ(I)>	15.2	3.2
Completeness [%]	99.4	99.9
Redundancy	4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	292	0.5microL reservoir + 0.5microL protein, reservoir: 1.6M triammonium citrate pH 6, protein: 10mg/ml Klhxk1, 10mM Tris pH 7.4, 1mM EDTA, 1mM DTT, 0.5mM PMSF, 2mM AMPPCP, crystal soaked in 50mM AMPPNP, VAPOR DIFFUSION, HANGING DROP, temperature 292K