1GGJ

CRYSTAL STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI, ASN201ALA VARIANT.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1996-01-01
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	93.040, 132.340, 121.200
Unit cell angles	90.00, 109.63, 90.00

Refinement procedure

Resolution	19.000 * - 1.920
R-factor	0.194
Rwork	0.182
R-free	0.23500
RMSD bond length	0.008
RMSD bond angle	0.025
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.260	1.970
High resolution limit [Å]	1.920	1.920
Rmerge	0.139 *	0.490 *
Number of reflections	193708	15468 *
Completeness [%]	91.7	89.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	297	PEG 3350, LiCl, Tris-HCl, pH 9.0, vapor diffusion/hanging drop, 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)