1B9N

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	IMAGE PLATE
Collection date	1998-03
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	81.110, 127.360, 62.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.630 - 2.090
Rwork	0.214
R-free	0.28600
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	0.038
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.630	2.150
High resolution limit [Å]	2.090	2.090
Rmerge	0.067	0.421
Total number of observations	268449 *
Number of reflections	37763 *
<I/σ(I)>	15.4	2
Completeness [%]	99.0	99.6
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6 *	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)