9VGO

Crystal structure of the cytochrome P450 RosC in complexed with Rosamicin

This is a non-PDB format compatible entry.

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	2022-12-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	127.640, 95.670, 95.910
Unit cell angles	90.00, 109.07, 90.00

Refinement procedure

Resolution	47.830 - 2.300
R-factor	0.195
Rwork	0.192
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.992
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]	47.842	2.440
High resolution limit [Å]	2.299	2.299
Number of reflections	48362	14714
<I/σ(I)>	7.72	1.26
Completeness [%]	95.9
Redundancy	1.8
CC(1/2)	0.995	0.688

Crystallization Conditions

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