3IIC

Crystal structure of CheC-like superfamily protein (YP_001095400.1) from Shewanella SP. PV-4 at 2.13 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-16
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	43.646, 52.075, 134.429
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.564 - 2.130
R-factor	0.213
Rwork	0.211
R-free	0.25600
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.722
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.564	48.564	2.210
High resolution limit [Å]	2.130	4.570	2.130
Rmerge	0.073	0.044	0.564
Number of reflections	17765	1940	1821
<I/σ(I)>	10.88	24.6	2.4
Completeness [%]	99.2	98.2	99.2
Redundancy	3.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.2	277	0.2000M K2HPO4, 20.0000% PEG-3350, No Buffer pH 9.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K