8XG8

Crystal structure of phenylacetone monooxygenase mutant PM2 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	2023-10-16
Detector	RIGAKU HyPix-Arc 150
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	81.853, 84.710, 91.714
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.010 - 2.130
R-factor	0.2192
Rwork	0.217
R-free	0.26970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.530
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]	40.010	2.206
High resolution limit [Å]	2.130	2.130
Number of reflections	34399	3067
<I/σ(I)>	15.97
Completeness [%]	94.6
Redundancy	13
CC(1/2)	0.998	0.676

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