1K3I

Crystal Structure of the Precursor of Galactose Oxidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-05-28
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	69.313, 89.516, 93.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.410 - 1.400
R-factor	0.176
Rwork	0.176
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gog
RMSD bond length	0.005
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.000	1.490
High resolution limit [Å]	1.400	1.400
Rmerge	0.042 *	0.092 *
Total number of observations	731202 *
Number of reflections	115006
<I/σ(I)>	72.3	28.5
Completeness [%]	99.2	93.7
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	18 *	PEG 8000, Sodium MES, Calcium Acetate., pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	6	18 *	PEG 8000, Sodium MES, Calcium Acetate., pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	18 (%)
2	1	reservoir	calcium acetate	200 (mM)