1SD9

ARSENATE REDUCTASE C12S MUTANT +0.4M ARSENATE FROM E. COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2002-01-28
Detector	RIGAKU RAXIS IV
Spacegroup name	P 61 2 2
Unit cell lengths	86.590, 86.590, 115.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.650
R-factor	0.1701
Rwork	0.170
R-free	0.21380
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	NATIVE STRUCTURE
RMSD bond length	0.009
RMSD bond angle	0.026
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.698
High resolution limit [Å]	1.640	1.640
Rmerge	0.166	0.612
Number of reflections	27713
<I/σ(I)>	7.7	1.306
Completeness [%]	90.8	54.1
Redundancy	17.9	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	278	50% saturated Cesium Sulfate, 100mM sodium acetate,5mM DTT, pH 4.80, VAPOR DIFFUSION, HANGING DROP, temperature 278K