9HS4

Cytochrome P460 from Methyloccocus capsulatus (double crosslink from Lys)

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	2023-08-10
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.7749
Spacegroup name	P 21 21 21
Unit cell lengths	46.657, 80.627, 84.695
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.390 - 1.660
R-factor	0.14424
Rwork	0.142
R-free	0.18324
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.211
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]	58.390	1.719
High resolution limit [Å]	1.660	1.660
Rpim	0.085
Number of reflections	38507	3807
<I/σ(I)>	18.92
Completeness [%]	99.7	97.35
Redundancy	80.5	33.7
CC(1/2)	0.999	0.428

Crystallization Conditions

crystal ID	method	pH	temperature	details
1