3EDC

Crystal Structure of a 1.6-hexanediol Bound Tetrameric Form of Escherichia coli Lac-repressor Refined to 2.1 Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-01-01
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.93
Spacegroup name	C 1 2 1
Unit cell lengths	164.150, 72.434, 130.566
Unit cell angles	90.00, 113.96, 90.00

Refinement procedure

Resolution	60.060 - 2.100
R-factor	0.15868
Rwork	0.156
R-free	0.20129
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lbh
RMSD bond length	0.015
RMSD bond angle	1.504
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	119.400
High resolution limit [Å]	2.100
Number of reflections	81956
Completeness [%]	100.0
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	microseeded, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K