1JL3

Crystal Structure of B. subtilis ArsC

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	298
Detector technology	CCD
Collection date	2001-06-08
Detector	MARRESEARCH
Wavelength(s)	0.9999, 0.9700, 0.9500
Spacegroup name	P 21 21 21
Unit cell lengths	50.940, 94.310, 118.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.800 * - 1.600
R-factor	0.226
Rwork	0.226
R-free	0.24100
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.800 *	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.044 *	0.300 *
Number of reflections	74177
<I/σ(I)>	19	4.6
Completeness [%]	97.3 *	97.4
Redundancy	4	3.92

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	278	PEG 4000, ammonium sulfate, sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium acetate	0.1 (M)
2	1	reservoir	ammonium sulfate	0.2 (M)
3	1	reservoir	polyethyleneglycol methyl	30-35 (%)
4	1	reservoir	dithiothreitol	5 (mM)