1OR6

Crystal Structure of HemAT sensor domain from B.subtilis in the unliganded form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	49.453, 79.724, 85.146
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.000 * - 2.710
R-factor	0.208
Rwork	0.208
R-free	0.32900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1or4
RMSD bond length	0.009
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.000 *	2.800
High resolution limit [Å]	2.710	2.700
Rmerge	0.098	0.216
Total number of observations	55718 *
Number of reflections	9226 *
Completeness [%]	95.1 *	74

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

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 (%)