1JKV

Crystal Structure of Manganese Catalase from Lactobacillus plantarum complexed with azide

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	1999-09-17
Detector	ADSC QUANTUM 4
Wavelength(s)	0.811
Spacegroup name	P 1 21 1
Unit cell lengths	74.210, 95.550, 106.110
Unit cell angles	90.00, 106.18, 90.00

Refinement procedure

Resolution	17.000 - 1.400 *
R-factor	0.10509
Rwork	0.104
R-free	0.13000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jku
RMSD bond length	0.014
RMSD bond angle	1.540 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.000	1.430
High resolution limit [Å]	1.400 *	1.400 *
Rmerge	0.050	0.140
Total number of observations	663270 *
Number of reflections	269006
<I/σ(I)>	16.4	4.1
Completeness [%]	95.5	78.3
Redundancy	2.5	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	17 *	PEG 8000, TAPS, pH 8.5, VAPOR DIFFUSION, HANGING DROP at 291K, pH 8.7

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG8000	25 (%)
3	1	reservoir	TAPS	0.1 (M)	pH8.7