1I9D

ARSENATE REDUCTASE FROM E. COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2000-05-17
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 61 2 2
Unit cell lengths	86.726, 86.726, 116.170
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.650
R-factor	0.129
Rwork	0.134
R-free	0.18500 *
Structure solution method	MIR
RMSD bond length	0.015 *
RMSD bond angle	0.036 *
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	SOLVE
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.700
High resolution limit [Å]	1.650	1.650
Rmerge	0.137	0.700
Total number of observations	1357856 *
Number of reflections	55121
<I/σ(I)>	209.1	6.2
Completeness [%]	96.9 *	87.8
Redundancy	24.6	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	5 *	50% Saturated48% Cesium Sulfate, 100 mM 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)