9VGM

Crystal structure of the cytochrome P450 RosC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.980
Spacegroup name	C 2 2 21
Unit cell lengths	102.878, 168.974, 210.702
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.100 - 2.150
R-factor	0.1826
Rwork	0.181
R-free	0.21770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.979
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.114	2.280
High resolution limit [Å]	2.150	2.150
Number of reflections	99586	31017
<I/σ(I)>	14	1.94
Completeness [%]	99.9
Redundancy	7.1
CC(1/2)	0.999	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG3350, Bis-Tris