9JVJ

Structure of P450BytO mutant V219H in complex with pentapeptide MRYYH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-08
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.542
Spacegroup name	P 1 21 1
Unit cell lengths	43.837, 94.202, 44.913
Unit cell angles	90.00, 104.98, 90.00

Refinement procedure

Resolution	20.700 - 2.000
R-factor	0.1592
Rwork	0.157
R-free	0.19820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.936
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]	20.700	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	23735	2382
<I/σ(I)>	28.21
Completeness [%]	99.8
Redundancy	3.5
CC(1/2)	0.999	0.988

Crystallization Conditions

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