1G8K

CRYSTAL STRUCTURE ANALYSIS OF ARSENITE OXIDASE FROM ALCALIGENES FAECALIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1998-04-22
Detector	MARRESEARCH
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	90.740, 109.520, 117.640
Unit cell angles	97.71, 90.00, 96.43

Refinement procedure

Resolution	17.800 - 1.640
Rwork	0.154
R-free	0.17900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.030
RMSD bond angle	2.600
Data reduction software	MOSFLM
Data scaling software	CCP4 ((TRUNCATE))
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.800	1.680
High resolution limit [Å]	1.640	1.640
Rmerge	0.056	0.256
Total number of observations	930124 *
Number of reflections	507315
<I/σ(I)>	9.6	2.9
Completeness [%]	93.1	71.5
Redundancy	1.8	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	277	PEG 10000, cobalt(II) chloride, calcium chloride, MES, mercury(II) chloride, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG17500	12 (%)
2	1	reservoir	MES	0.1 (M)