1QF7

STRUCTURE OF THE MUTANT HIS392GLN OF CATALASE HPII FROM E. COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-10-01
Spacegroup name	P 1 21 1
Unit cell lengths	93.400, 132.920, 121.670
Unit cell angles	90.00, 109.47, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.144 *
Rwork	0.144
R-free	0.21000
Structure solution method	OTHER
Starting model (for MR)	1iph
RMSD bond length	0.015
RMSD bond angle	16.100 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.200
High resolution limit [Å]	2.120	2.120
Rmerge	0.080	0.210
Number of reflections	137604
<I/σ(I)>	10.4	5.1
Completeness [%]	96.6	95
Redundancy	3	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	9		Bravo, J., (1995) Structure, 3, 491. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG3350	15 (%(w/v))
2	1	reservoir		1.5 (M)
3	1	reservoir	Tris-HCl	0.2 (M)