1SD8

ARSENATE REDUCTASE R60K MUTANT 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	2001-07-24
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	86.600, 86.600, 116.030
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.590
Rwork	0.140
R-free	0.18120
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	NATIVE STRUCTURE
RMSD bond length	0.011
RMSD bond angle	0.030
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	1.640
High resolution limit [Å]	1.580	1.580
Rmerge	0.104	0.234
Number of reflections	32216
<I/σ(I)>	25.9	3.88
Completeness [%]	95.0	69.2
Redundancy	16.9	3.08

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