1SJZ

ARSENATE REDUCTASE R60K MUTANT +0.4M ARSENITE 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	2001-11-09
Detector	RIGAKU RAXIS IV
Spacegroup name	P 61 2 2
Unit cell lengths	86.720, 86.720, 116.090
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.1825
Rwork	0.182
R-free	0.23850
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	NATIVE STRUCTURE
RMSD bond length	0.008
RMSD bond angle	0.024
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	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.147	0.512
Number of reflections	35645
<I/σ(I)>	10.1	1.561
Completeness [%]	93.5	60.45
Redundancy	16.3	3.71

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