1LYC

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-09-23
Detector	MARRESEARCH
Wavelength(s)	0.8346
Spacegroup name	P 1 21 1
Unit cell lengths	77.289, 115.055, 36.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.890 - 1.570
R-factor	0.223
Rwork	0.223
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	future PDB deposition
RMSD bond length	0.019
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]	15.000	1.600
High resolution limit [Å]	1.570	1.570
Rmerge	0.073 *	0.223
Total number of observations	155261 *
Number of reflections	52771 *
Completeness [%]	88.2 *	96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.25	293	1.5M-1.6M NH4H2PO, pH 4.0-4.5, VAPOR DIFFUSION, HANGING DROP, pH 4.25, temperature 293K
1	Vapor diffusion *	4.25	293	1.5M-1.6M NH4H2PO, pH 4.0-4.5, VAPOR DIFFUSION, HANGING DROP, pH 4.25, temperature 293K
1	Vapor diffusion *	4.25	293	1.5M-1.6M NH4H2PO, pH 4.0-4.5, VAPOR DIFFUSION, HANGING DROP, pH 4.25, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		1.5-1.6 (M)
2	1	drop	protein	17-21 (mg/ml)