6ATJ

RECOMBINANT HORSERADISH PEROXIDASE C COMPLEX WITH FERULIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1995-07
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	40.297, 67.272, 117.646
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.000 - 2.000
Rwork	0.166
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1atj
RMSD bond length	0.010 *
RMSD bond angle	21.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.076	0.208
Total number of observations	108409 *
Number of reflections	21778
Completeness [%]	97.2 *	96
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	10 *	16% (W/V) PEG 4000, 0.2 M CALCIUM ACETATE AND 0.1 M CACODYLATE BUFFER, PH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	20 (%(w/v))
2	1	reservoir		0.2 (M)
3	1	reservoir	cacodylate	0.1 (M)