1LYK

THE IMPACT OF THE PHYSICAL AND CHEMICAL ENVIROMENT ON THE MOLECULAR STRUCTURE OF COPRINUS CINEREUS PEROXIDASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	288
Detector technology	IMAGE PLATE
Collection date	1994-09-20
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	77.700, 128.410, 75.480
Unit cell angles	90.00, 93.22, 90.00

Refinement procedure

Resolution	25.000 - 2.000
R-factor	0.179 *
Rwork	0.179
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.560
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.085	0.490
Total number of observations	104109 *
Number of reflections	41462
Completeness [%]	83.3	72.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	293	18% PEG, 0.35M MgCl2, 10 mM KCN, pH 7.0, VAPOR DIFFUSION, HANGING DROP at 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	18 (%(w/v))
2	1	reservoir		0.35 (M)
3	1	reservoir		10 (mM)
4	1	drop	protein	20-25 (mg/ml)