4LE0

Crystal structure of the receiver domain of DesR in complex with beryllofluoride and magnesium

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	2012-08-29
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	43.945, 71.782, 52.193
Unit cell angles	90.00, 104.25, 90.00

Refinement procedure

Resolution	19.940 - 2.270
R-factor	0.1787
Rwork	0.177
R-free	0.21270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.170
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.587	37.438	2.390
High resolution limit [Å]	2.268	7.170	2.270
Rmerge		0.029	0.396
Total number of observations		1055	4385
Number of reflections	14357
<I/σ(I)>	8.1	20.2	2
Completeness [%]	98.2	98.6	94.5
Redundancy	2.2	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1.6 M (NH4)2SO4, 0.2 M NH4CH3CO2, 10 mM MgCl2, 5 mM BeF3, vapor diffusion, hanging drop, temperature 291K