9S4B

Auxiliary Activity 7 oxidase from Ustilago maydis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-28
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.9763
Spacegroup name	P 61 2 2
Unit cell lengths	91.827, 91.827, 268.330
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.850 - 1.800
R-factor	0.1788
Rwork	0.178
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.028
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	PHENIX (1.21rc1_5156)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.850	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.143	1.000
Rmeas	0.150	1.000
Number of reflections	62915	4368
<I/σ(I)>	10.5	0.8
Completeness [%]	99.4	98.3
Redundancy	11	11.2
CC(1/2)	0.990	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.01 M cobalt (II) chloride hexahydrate, 1.8 M ammonium sulfate, 0.1 M MES pH 6.5