3O08

Crystal structure of dimeric KlHxk1 in crystal form I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-02-10
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.8940
Spacegroup name	P 21 21 2
Unit cell lengths	98.692, 113.219, 91.234
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.970 - 2.000
R-factor	0.18587
Rwork	0.185
R-free	0.24366
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ig8
RMSD bond length	0.024
RMSD bond angle	2.017
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	2.050
High resolution limit [Å]	2.000	2.000
Rmerge		0.505
Number of reflections	69639
<I/σ(I)>	22	4.9
Completeness [%]	99.8	98.9
Redundancy	6.2	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.4	292	1MICROL RESERVOIR + 1MICROL PROTEIN; RESERVOIR: 2.5M AMMONIA SULFATE, 0.1M CHES PH 9.4, PROTEIN: 10MG/ML KLHXK1, 10MM TRIS PH 7.4, 1MM EDTA, 1MM DTT, 0.5MM PMSF, VAPOR DIFFUSION, HANGING DROP, temperature 292K