1S3D

ARSENATE REDUCTASE R60A 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
Spacegroup name	P 61 2 2
Unit cell lengths	86.600, 86.600, 115.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.540
R-factor	0.1466
R-free	0.19850
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	1.588
High resolution limit [Å]	1.529	1.529
Rmerge	0.093	0.297
Number of reflections	34567
<I/σ(I)>	25.1	3.13
Completeness [%]	92.6	56.6
Redundancy	16.38	3.92

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8		50% Saturated Cesium sulfate, 100 mM sodium acetate, 5 mM DTT, pH 4.80, VAPOR DIFFUSION, HANGING DROP