1SK1

ARSENATE REDUCTASE R60K 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	2001-11-01
Detector	RIGAKU RAXIS IV
Spacegroup name	P 61 2 2
Unit cell lengths	86.680, 86.680, 116.060
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.550
R-factor	0.1755
Rwork	0.175
R-free	0.21190
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	NATIVE STRUCTURE
RMSD bond length	0.010
RMSD bond angle	0.031
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	1.612
High resolution limit [Å]	1.550	1.550
Rmerge	0.099	0.445
Number of reflections	32964
<I/σ(I)>	19	1.99
Completeness [%]	86.3	35.63
Redundancy	17.9	5.28

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