1G8J

CRYSTAL STRUCTURE ANALYSIS OF ARSENITE OXIDASE FROM ALCALIGENES FAECALIS

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	110
Detector technology	CCD
Collection date	1999-04-30
Detector	ADSC QUANTUM 4
Wavelength(s)	1.797, 1.746, 1.742, 1.739, 0.98
Spacegroup name	P 1 21 1
Unit cell lengths	96.710, 114.250, 108.980
Unit cell angles	90.00, 112.44, 90.00

Refinement procedure

Resolution	20.000 - 2.030
Rwork	0.193
R-free	0.22300
Structure solution method	MAD
RMSD bond length	0.020
RMSD bond angle	1.800
Data reduction software	MOSFLM
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.200
High resolution limit [Å]	2.030
Rmerge	0.059	0.389 *
Total number of observations	513617 *
Number of reflections	131366
<I/σ(I)>	16.4
Completeness [%]	93.2	74.9 *
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	PEG 6000, tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	15 (%)
2	1	reservoir	Tris-HCl	0.1 (M)