8XG7

Crystal structure of phenylacetone monooxygenase mutant PM1 bound to FAD and NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-26
Detector	RIGAKU HyPix-Arc 150
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	82.770, 85.060, 94.306
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.900 - 2.000
R-factor	0.2362
Rwork	0.234
R-free	0.27260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.978
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.900	2.075
High resolution limit [Å]	2.000	2.000
Number of reflections	44316	4090
<I/σ(I)>	14.48
Completeness [%]	97.5
Redundancy	12.1
CC(1/2)	0.999	0.666

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287	0.1 M MES pH6.5, 0.2 M (NH4)2SO4, and 30% MPEG5000