9DT2

Crystal structure of the engineered sulfonylurea repressor EsR (L7-D1), apo form

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	NOIR-1
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	72.440, 72.440, 95.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.147 - 3.100
Rwork	0.234
R-free	0.29760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.745
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]	45.147	3.310
High resolution limit [Å]	3.100	3.100
Number of reflections	4955	342
<I/σ(I)>	12.8
Completeness [%]	100.0
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M HEPES sodium pH 7.5 2% v/v Polyethylene glycol 400 2.0 M Ammonium sulfate