1SK2

ARSENATE REDUCTASE R60A 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	2001-10-12
Detector	RIGAKU RAXIS IV
Spacegroup name	P 61 2 2
Unit cell lengths	86.440, 86.440, 116.450
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.540
R-factor	0.1857
Rwork	0.186
R-free	0.22970
Structure solution method	SINGLE WAVELENGTH METHOD USED TO DETERMINE THE STRUCTURE: 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	1.586
High resolution limit [Å]	1.530	1.530
Rmerge	0.114	0.596
Number of reflections	34198
<I/σ(I)>	16.2	1.529
Completeness [%]	86.7	42.3
Redundancy	20.2	5.25

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