1LY9

The impact of the physical and chemical environment on the molecular structure of Coprinus cinereus peroxidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1996-04-18
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	77.600, 116.940, 36.800
Unit cell angles	90.00, 90.70, 90.00

Refinement procedure

Resolution	30.000 * - 2.000
R-factor	0.178
Rwork	0.178
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	22.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.000 *	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.071	0.210
Total number of observations	73087 *
Number of reflections	40199
Completeness [%]	90.9	74.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.25	293	1.8M NH4H2PO4, pH 4.00-4.50, VAPOR DIFFUSION, HANGING DROP at 293K, pH 4.25

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		1.8 (M)
2	1	drop	protein	17 (mg/ml)