1B9M

REGULATOR FROM ESCHERICHIA COLI

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	1998-04
Detector	PRINCETON 2K
Wavelength(s)	0.8855, 0.9310
Spacegroup name	P 21 21 2
Unit cell lengths	81.610, 127.240, 62.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.150 - 1.750
Rwork	0.234
R-free	0.27900
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	0.033
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.150	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.055	0.368
Total number of observations	205040 *
Number of reflections	53298 *
<I/σ(I)>	31.8	2.9
Completeness [%]	80.2	66.4
Redundancy	3	1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	60 *	277 *	pH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		20 (mM)
2	1	reservoir	PEG8000	10-18 (%)
3	1	reservoir	cacodylic acid	50 (mM)
4	1	reservoir	magnesium acetate	100 (mM)