1O9I

Crystal structure of the Y42F mutant of manganese catalase from Lactobacillus plantarum at 1.33A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-09
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	73.490, 95.270, 105.000
Unit cell angles	90.00, 106.55, 90.00

Refinement procedure

Resolution	48.000 * - 1.330
R-factor	0.117
Rwork	0.115
R-free	0.14500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jkv
RMSD bond length	0.014 *
RMSD bond angle	1.522 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.000 *	1.350
High resolution limit [Å]	1.330	1.330
Rmerge	0.041 *	0.340 *
Total number of observations	588079 *
Number of reflections	274725 *
<I/σ(I)>	14.9	1.7
Completeness [%]	86.7	80.7
Redundancy	2.14 *	1.88

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.7 *	18 *	PEG 8000, TAPS, PH 8.5, VAPOR DIFFUSION, HANGING DROP AT 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	14 (%)
2	1	reservoir	TAPS	0.1 (M)	pH8.7