1OR4

Crystal Structure of HemAT sensor domain from B.subtilis in the cyano-liganded form

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2002-04-05
Detector	ADSC QUANTUM 4
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	49.994, 80.117, 85.944
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.000 * - 2.150
R-factor	0.197
Rwork	0.197
R-free	0.25780
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.324 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.000 *	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.063 *	0.218 *
Total number of observations	83301 *
Number of reflections	18722 *
Completeness [%]	96.0	83.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	298	sodium citrate, KH2PO4, n-Octyl-D-glucoside, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	Vapor diffusion *	7	298	sodium citrate, KH2PO4, n-Octyl-D-glucoside, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium citrate	10-18 (%)
2	1	reservoir		100 (mM)	pH7.0
3	1	reservoir	n-octyl-beta-D-glucoside	0.1 (%)