1GGF

CRYSTAL STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI, VARIANT HIS128ASN, COMPLEX WITH HYDROGEN PEROXIDE.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1996-01-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	93.372, 133.415, 121.918
Unit cell angles	90.00, 109.63, 90.00

Refinement procedure

Resolution	19.800 * - 2.280
R-factor	0.185
Rwork	0.174
R-free	0.25400
RMSD bond length	0.009
RMSD bond angle	0.031
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.840	2.340
High resolution limit [Å]	2.280	2.280
Rmerge	0.107 *	0.365 *
Number of reflections	125885	9488 *
Completeness [%]	98.5	95.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	9	297	PEG 3350, LiCl, Tris-HCl. Before data collection the protein crystal was soaked during a few seconds in the solution with 2M hydrogen peroxide., pH 9.0, temperature 297.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	PEG3350	15-17 (%)
3	1	reservoir		1.6-1.5 (M)
4	1	reservoir	Tris-HCl	0.1 (M)