4LE1

Crystal structure of the receiver domain of DesR in the inactive state

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	2011-05-09
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	45.732, 91.634, 62.106
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 1.951
R-factor	0.1932
Rwork	0.192
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.106	36.870	2.060
High resolution limit [Å]	1.951	6.170	1.950
Rmerge		0.017	0.434
Total number of observations		2282	9469
Number of reflections	19564
<I/σ(I)>	16.3	30.8	1.8
Completeness [%]	99.6	97.3	98.3
Redundancy	3.5	3.4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	1.6 M (NH4)2SO4, 0.2 M NH4CH3CO2, vapor diffusion, hanging drop, temperature 291K, pH 8, VAPOR DIFFUSION, HANGING DROP