9X0N

Crystal structure of a self-sufficient cytochrome P450 from Shimazuella soli.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 07A
Synchrotron site	NSRRC
Beamline	TPS 07A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97621
Spacegroup name	P 31
Unit cell lengths	205.559, 205.559, 83.641
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.690 - 3.380
R-factor	0.1952
Rwork	0.193
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.403
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	3.500
High resolution limit [Å]	3.380	3.380
Number of reflections	54693	5456
<I/σ(I)>	26.5
Completeness [%]	99.2
Redundancy	3.5
CC(1/2)	0.997	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M HEPES pH 7.5; 13% PEG 20000