5IUL

Crystal structure of the DesK-DesR complex in the phosphotransfer state with high Mg2+ (150 mM) and BeF3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-10-31
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	88.186, 116.680, 91.877
Unit cell angles	90.00, 117.10, 90.00

Refinement procedure

Resolution	38.590 - 3.153
R-factor	0.192
Rwork	0.190
R-free	0.23100
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.250
Data scaling software	XDS (Jun 17, 2015)
Refinement software	BUSTER-TNT (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.590	3.163
High resolution limit [Å]	3.153	3.153
Number of reflections	28033
<I/σ(I)>	11.8	2.5
Completeness [%]	97.9	67.4
Redundancy	3.8	3.8
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	PEGi3350, tri-potassium citrate, vapor diffusion, hanging drop, temperature 291K