9DT3

Crystal structure of the engineered sulfonylurea repressor EsR (L11-C6), bound to ethametsulfuron-methyl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-30
Detector	MAR CCD 165 mm
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	65.819, 71.022, 90.526
Unit cell angles	90.00, 92.19, 90.00

Refinement procedure

Resolution	29.842 - 2.800
Rwork	0.190
R-free	0.27770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.779
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.842	2.872
High resolution limit [Å]	2.800	2.800
Number of reflections	20657	1435
<I/σ(I)>	7.9
Completeness [%]	99.6
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.05 M Magnesium chloride 0.1 M HEPES pH 7.5 30% v/v Polyethylene glycol monomethyl ether 550