4BLC

THE STRUCTURE OF ORTHORHOMBIC CRYSTALS OF BEEF LIVER CATALASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	290
Detector technology	AREA DETECTOR
Detector	SDMS
Spacegroup name	P 21 21 21
Unit cell lengths	87.800, 140.600, 232.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.205
Rwork	0.205
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cat
RMSD bond length	0.008
RMSD bond angle	27.400 *
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	MERLOT
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.115	0.226
Total number of observations	603135 *
Number of reflections	128019
<I/σ(I)>	10.2	1.5
Completeness [%]	88.5	26.9
Redundancy	4.7	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	290 *	VAPOR DIFFUSION AGAINST 10% N-PROPANOL, AND 0.1 M NA-PO4 BUFFER PH 6.2 TO 6.8 DROP SET UP 15 UL OF 40 MG/ML PROTEIN PLUS 5 UL 1% NACL PLUS 5 UL RESERVOIR., pH 6.5, vapor diffusion

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	drop		1 (%)
3	1	reservoir	sodium phosphate	0.1 (M)
4	1	reservoir	n-propanol	10 (%)