9VGQ

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

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-21
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	128.010, 96.030, 96.280
Unit cell angles	90.00, 108.90, 90.00

Refinement procedure

Resolution	43.860 - 2.300
R-factor	0.2012
Rwork	0.198
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.079
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]	48.017	2.440
High resolution limit [Å]	2.300	2.300
Number of reflections	48388	14919
<I/σ(I)>	7.88	1.71
Completeness [%]	94.7
Redundancy	1.8
CC(1/2)	0.994	0.553

Crystallization Conditions

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