9ZKF

Heme-containing Fungal Catalase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-15
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97946
Spacegroup name	I 2 2 2
Unit cell lengths	78.522, 112.096, 172.583
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.009 - 1.821
Rwork	0.202
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.624
Data reduction software	DIALS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.920	1.920
High resolution limit [Å]	1.820	1.820
Rmerge	0.099	0.888
Number of reflections	67659	9432
<I/σ(I)>	9.3	0.8
Completeness [%]	99.3	96.1
Redundancy	6.5
CC(1/2)	0.998	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 2000 MME