8XG9

Crystal structure of phenylacetone monooxygenase mutant PM3 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	2023-09-08
Detector	RIGAKU HyPix-Arc 150
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	83.249, 84.752, 92.804
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.980 - 2.000
R-factor	0.2219
Rwork	0.221
R-free	0.25110
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	0.819
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]	34.980	2.073
High resolution limit [Å]	2.000	2.000
Number of reflections	44714	4314
<I/σ(I)>	19.21
Completeness [%]	99.2
Redundancy	12.4
CC(1/2)	0.999	0.731

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, 30% MPEG5000