3SSS

CcmK1 with residues 103-113 deleted

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	78.400, 78.600, 110.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.282 - 2.050
R-factor	0.1653
Rwork	0.163
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ssq
RMSD bond length	0.019
RMSD bond angle	1.785
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	2.050	2.050
Number of reflections	43990
<I/σ(I)>	14.9	3.1
Completeness [%]	98.2	83.6
Redundancy	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	25% PEG 3350, 0.2 M (NH4)2SO4,0.1M bis-Tris , pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K