4LE2

Crystal structure of the unphosphorylated receiver domain of DesR in the active 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	2010-07-30
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	43.350, 63.850, 121.610
Unit cell angles	90.00, 97.84, 90.00

Refinement procedure

Resolution	38.810 - 2.540
R-factor	0.1863
Rwork	0.184
R-free	0.22020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.220
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	120.474	38.815	2.670
High resolution limit [Å]	2.537	8.020	2.540
Rmerge		0.039	0.422
Total number of observations		2564	10711
Number of reflections	21892
<I/σ(I)>	10.2	10.8	1.8
Completeness [%]	99.3	99.2	95.7
Redundancy	3.6	3.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.25	291	1 M KH2PO4, 0.1 M HEPES, 2% Glycerol, pH 7.25, VAPOR DIFFUSION, HANGING DROP, temperature 291K