1SOT

Crystal Structure of the DegS stress sensor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-12
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9393
Spacegroup name	C 1 2 1
Unit cell lengths	207.681, 143.062, 41.529
Unit cell angles	90.00, 90.07, 90.00

Refinement procedure

Resolution	15.000 - 2.300
R-factor	0.201
Rwork	0.198
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ky9
RMSD bond length	0.012
RMSD bond angle	1.590
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	51588
<I/σ(I)>	24.1	2.4
Completeness [%]	96.5	99.5
Redundancy		1.93

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	PEG 6000, MPD, magnesium chloride, HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 292.K