6J42

Crystal Structure of Wild Type KatB, a manganese catalase from Anabaena

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-05-15
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	102.070, 102.070, 138.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.586 - 2.492
R-factor	0.2191
Rwork	0.217
R-free	0.26110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r42
RMSD bond length	0.003
RMSD bond angle	0.660
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.810	2.590
High resolution limit [Å]	2.490	2.490
Rmerge	0.075	0.437
Rmeas	0.083	0.479
Number of reflections	25862	2855
<I/σ(I)>	13.9	2.8
Completeness [%]	98.5	98.8
Redundancy	5.7	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	PEG 400, PEG 8000, Calcium Acetate, 100 mM Imidazole