9HS9

Cytochrome P460 from Methyloccocus capsulatus (unclear crosslink from Lys), damage-free

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	301
Detector technology	CCD
Collection date	2022-05-11
Detector	RAYONIX MX300-HS
Wavelength(s)	1.13
Spacegroup name	P 21 21 21
Unit cell lengths	46.778, 81.002, 85.139
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.350 - 1.280
R-factor	0.13478
Rwork	0.133
R-free	0.16139
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.186
Data reduction software	DIALS (3.dev.923)
Data scaling software	DIALS (3.dev.923)
Phasing software	REFMAC (5.8.0352)
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.350	1.300
High resolution limit [Å]	1.280	1.280
Rpim	0.072	1.568
Number of reflections	84105	4186
<I/σ(I)>	28.2	0.8
Completeness [%]	100.0	100
Redundancy	173.4	179.8
CC(1/2)	0.999	0.283

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	8	293	1:1 20-30 mg/mL protein:3.8-4.0 M ammonium sulfate, 0.1 M Tris pH 8