9HS6

Cytochrome P460 from Methyloccocus capsulatus (double crosslink from Lys), aged

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE VMXi
Synchrotron site	Diamond
Beamline	VMXi
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-09-28
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.7749
Spacegroup name	P 21 21 21
Unit cell lengths	46.701, 80.468, 84.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.320 - 1.770
R-factor	0.14648
Rwork	0.144
R-free	0.19437
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.264
Data reduction software	DIALS (3.16.1)
Data scaling software	DIALS (3.16.1)
Phasing software	REFMAC (5.8.0419)
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.320	1.833
High resolution limit [Å]	1.770	1.770
Rpim	0.148
Number of reflections	31820	3124
<I/σ(I)>	15.88	0.54
Completeness [%]	99.3
Redundancy	66.5
CC(1/2)	0.982	0.285

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	100 nL protein at 7 mg/mL with 100 nL of precipitant (2.05 M ammonium sulfate, 100 mM Tris-HCl pH 8.0)