4JAX

Crystal structure of dimeric KlHxk1 in crystal form X

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	2008-08-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	P 21 21 21
Unit cell lengths	105.810, 178.300, 216.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.602 - 2.260
R-factor	0.2007
Rwork	0.200
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	chain A of PDB entry 3O1W
RMSD bond length	0.010
RMSD bond angle	1.502
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.850	2.320
High resolution limit [Å]	2.260	2.260
Number of reflections	190903
<I/σ(I)>	24.25	3.84
Completeness [%]	99.8	100
Redundancy	5.2	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	1 microliter protein (7.8 mg/ml KlHxk1 in buffer (10 mM Tris, 1 mM EDTA, 1 mM DTT, 0.5 mM PMSF, pH 7.4)) + 1 microliter reservoir (2.2 M (NH4)2HPO4, 0.1 M Tris pH 8.5), micro seeding, VAPOR DIFFUSION, HANGING DROP, temperature 298K