9VGP

Crystal structure of the cytochrome P450 RosC in complexed with 20-dihydrorosamicin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	124.760, 95.310, 95.700
Unit cell angles	90.00, 106.60, 90.00

Refinement procedure

Resolution	44.590 - 2.300
R-factor	0.2197
Rwork	0.217
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.995
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]	47.658	2.440
High resolution limit [Å]	2.300	2.300
Number of reflections	47110	13970
<I/σ(I)>	7.53	1.54
Completeness [%]	94.3
Redundancy	1.8
CC(1/2)	0.997	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	Tacsimate