1J9B

ARSENATE REDUCTASE+0.4M ARSENITE 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
Collection date	2000-01-20
Detector	MARRESEARCH
Wavelength(s)	1.000
Spacegroup name	P 61 2 2
Unit cell lengths	86.613, 86.613, 116.672
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.260
R-factor	0.128 *
Rwork	0.134
R-free	0.16600 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	NATIVE STRUCTURE
RMSD bond length	0.013
RMSD bond angle	0.032
Data reduction software	XDS
Data scaling software	X-GEN
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.330
High resolution limit [Å]	1.260	1.260
Rmerge	0.059	0.684
Total number of observations	363771 *
Number of reflections	51735 *
<I/σ(I)>	23.6	1.4
Completeness [%]	90.1 *	34.4
Redundancy	3.7	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	5 *	CESIUM SULFATE, ACETATE, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 278K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		1.2 (M)
2	1	drop	ammonium acetate	100 (mM)	pH4.8
3	1	drop	protein	30 (mg/ml)