1S3C

ARSENATE REDUCTASE C12S MUTANT FROM E. COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	93
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 61 2 2
Unit cell lengths	86.475, 86.475, 116.139
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.250
R-factor	0.1464
Rwork	0.146
R-free	0.23930
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	NATIVE STRUCTURE
RMSD bond length	0.014
RMSD bond angle	0.034
Data reduction software	X-GEN
Data scaling software	XDS
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.280
High resolution limit [Å]	1.250	1.250
Rmerge	0.117	0.677
Number of reflections	71887
<I/σ(I)>	7.2	0.62
Completeness [%]	81.5	66
Redundancy	10.2	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8		CESIUM SULFATE, ACETATE, pH 4.8, VAPOR DIFFUSION, HANGING DROP