1DZ0

REDUCED AZURIN II FROM ALCALIGENES XYLOSOXIDANS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	286
Detector technology	IMAGE PLATE
Collection date	1995-03-15
Detector	FUJI FILM
Spacegroup name	P 41 2 2
Unit cell lengths	52.650, 52.650, 100.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.500 - 1.750
R-factor	0.192
Rwork	0.192
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ARN
RMSD bond length	0.008
RMSD bond angle	26.000 *
Data reduction software	WEIS
Data scaling software	CCP4
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.700	1.800
High resolution limit [Å]	1.750	1.750
Rmerge	0.056	0.182
Total number of observations	37754 *
Number of reflections	11776
<I/σ(I)>	9.5	3.8
Completeness [%]	80.3	50.7
Redundancy	3.2	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6		0.1M KH2 PO4 PH 6.0, 60% SATURATED AMMONIUM SULPHATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		0.1 (M)
2	1	reservoir	ammonium sulfate
3	1	reservoir		(M)