5IUJ

Crystal structure of the DesK-DesR complex in the phosphotransfer state with low Mg2+ (20 mM)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.980100
Spacegroup name	P 1 21 1
Unit cell lengths	87.820, 114.619, 91.597
Unit cell angles	90.00, 116.44, 90.00

Refinement procedure

Resolution	66.698 - 3.200
R-factor	0.189
Rwork	0.187
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.260
Data scaling software	XDS (Jun 17, 2015)
Phasing software	PHASER (2.5.7)
Refinement software	BUSTER-TNT (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.698	3.207
High resolution limit [Å]	3.196	3.196
Rmerge	0.110	0.731
Number of reflections	26369
<I/σ(I)>	7.7	1.8
Completeness [%]	97.4	96.8
Redundancy	2.4	2.4
CC(1/2)	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	PEG3350, tri-potassium citrate, vapor diffusion, hanging drop, temperature 291K