4LDZ

Crystal structure of the full-length response regulator 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	2012-03-22
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	45.612, 77.646, 139.751
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.920 - 2.310
R-factor	0.1907
Rwork	0.189
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
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]	69.876	28.924	2.430
High resolution limit [Å]	2.307	7.300	2.310
Rmerge		0.018	0.506
Total number of observations		3014	12994
Number of reflections	22585
<I/σ(I)>	15	32.1	1.5
Completeness [%]	99.8	98.4	98.7
Redundancy	4.1	3.7	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	12% PEG3350, 0.2 M Sodium tartrate, 0.2 M MgCl2, 5 mM BeF3 and 5% (w/v) Methanol, vapor diffusion , pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 291K