4FMT

Crystal structure of a ChpT protein (CC_3470) from Caulobacter crescentus CB15 at 2.30 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	65.190, 94.320, 100.610
Unit cell angles	90.00, 92.26, 90.00

Refinement procedure

Resolution	65.094 - 2.300
R-factor	0.1853
Rwork	0.184
R-free	0.21430
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.020
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.094	65.090	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.087	0.029	0.912
Number of reflections	52631	607	3869
<I/σ(I)>	10.67	30.7	1.64
Completeness [%]	97.2	94.1	97.6
Redundancy	3.45	3.5	3.43

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	295.5	20% (w/v) PEG-8000, 0.1M MES pH 6.0, 0.2M Calcium acetate, final pH 6.2, VAPOR DIFFUSION,HANGING DROP, temperature 295.5K
2	VAPOR DIFFUSION, HANGING DROP	6.2	295.5	20% (w/v) PEG-8000, 0.1M MES pH 6.0, 0.2M Calcium acetate, final pH 6.2, VAPOR DIFFUSION,HANGING DROP, temperature 295.5K