9JV0

Crystal structure of P450BytO from Planomonospora sp.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-07
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.542
Spacegroup name	P 1 21 1
Unit cell lengths	44.186, 96.586, 45.148
Unit cell angles	90.00, 105.77, 90.00

Refinement procedure

Resolution	20.670 - 1.900
R-factor	0.1643
Rwork	0.163
R-free	0.19840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a4g
RMSD bond length	0.007
RMSD bond angle	0.975
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.670	1.968
High resolution limit [Å]	1.900	1.900
Number of reflections	28465	2861
<I/σ(I)>	28.32
Completeness [%]	99.0
Redundancy	3.6
CC(1/2)	0.998	0.976

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M Ammonium formate, 20% PEG 3350