1RKR

CRYSTAL STRUCTURE OF AZURIN-I FROM ALCALIGENES XYLOSOXIDANS NCIMB 11015

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1996-02-20
Detector	RIGAKU
Spacegroup name	C 1 2 1
Unit cell lengths	130.670, 54.260, 74.550
Unit cell angles	90.00, 95.99, 90.00

Refinement procedure

Resolution	8.000 - 2.450
R-factor	0.173
Rwork	0.173
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AZURIN-II FROM THE SAME BACTERIUM
RMSD bond length	0.024
RMSD bond angle	27.320 *
Data reduction software	PROCESS
Data scaling software	PROCESS
Phasing software	AMoRE
Refinement software	X-PLOR (3.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.500
High resolution limit [Å]	2.450	2.450
Rmerge	0.069	0.171
Total number of observations	19618 *
Number of reflections	11462	904 *
<I/σ(I)>	11.7	3.47
Completeness [%]	90.5	82.3
Redundancy	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8		HANGING-DROP VAPOR DIFFUSION METHOD, pH 8.0, vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	0.1 (M)
3	1	drop	PEG	16 (%(w/v))
4	1	reservoir	Tris-HCl	0.1 (M)
5	1	reservoir	PEG	28 (%(w/v))