1CUO

CRYSTAL STRUCTURE ANALYSIS OF ISOMER-2 AZURIN FROM METHYLOMONAS J

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-12-20
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1 21 1
Unit cell lengths	32.960, 33.670, 47.340
Unit cell angles	90.00, 101.35, 90.00

Refinement procedure

Resolution	19.700 - 1.600
R-factor	0.184
Rwork	0.175
R-free	0.24200
RMSD bond length	0.016 *
RMSD bond angle	2.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.700	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.053	0.192
Number of reflections	12059
<I/σ(I)>	6.8
Completeness [%]	88.2	0.739
Redundancy	2.8	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	Inoue, T., (1999) Acta Crystallogr., Sect.D, 55, 307. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	drop	cacodylate	100 (mM)
3	1	drop	PEG4000	12.5 (%(w/v))
4	1	reservoir	cacodylate	100 (mM)
5	1	reservoir	PEG4000	25 (%(w/v))