1ATJ

RECOMBINANT HORSERADISH PEROXIDASE C1A

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1995-08
Detector	RIGAKU
Spacegroup name	P 31 1 2
Unit cell lengths	159.170, 159.170, 114.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	100.000 - 2.150
R-factor	0.222
Rwork	0.222
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sch
RMSD bond length	0.016
RMSD bond angle	22.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.900
High resolution limit [Å]	2.150	2.150
Rmerge	0.070	0.400
Total number of observations	142833 *
Number of reflections	73216
Completeness [%]	83.6	65.4
Redundancy	1.7	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5		Braithwaite, A., (1976) J. Mol. Biol., 106, 229. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.5-1 (%)
2	1	reservoir	Tris
3	1	reservoir	magnesium sulphate	2.61 (M)