1EFA

CRYSTAL STRUCTURE OF THE LAC REPRESSOR DIMER BOUND TO OPERATOR AND THE ANTI-INDUCER ONPF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	1999-01-11
Detector	BRANDEIS - B4
Spacegroup name	H 3 2
Unit cell lengths	251.438, 251.438, 204.791
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.600
R-factor	0.247
Rwork	0.247
R-free	0.26400
RMSD bond length	0.007
RMSD bond angle	25.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.000	2.680
High resolution limit [Å]	2.600	2.600
Rmerge	0.066	0.402
Total number of observations	392400 *
Number of reflections	74896
<I/σ(I)>	13.5
Completeness [%]	99.9	100
Redundancy	5.3	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5	298	ammonium sulfate, PEG 400, HEPES, Glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	HEPES
2	1	1	ammonium sulfate
3	1	1	PEG 400
4	1	1	Glycerol
5	1	2	ammonium sulfate
6	1	2	PEG 400
7	1	2	Glycerol

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1		Lac dimer	14 (mg/ml)
2	1		DNA		1.5-fold molar excess
3	1		ONPF		10-fold excess
4	1	2	PEG400	10 (%)
5	1		sodium sulphate	2.0 (M)
6	1		HEPES	0.1 (M)
7	1		glycerol	14 (%)