9FCN

OPR3 loop swap variant L6(AchrOYE4) in complex with NADPH4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96770
Spacegroup name	P 1 21 1
Unit cell lengths	49.322, 93.996, 89.275
Unit cell angles	90.00, 97.60, 90.00

Refinement procedure

Resolution	45.410 - 2.250
R-factor	0.1863
Rwork	0.184
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.628
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.410	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.221	4.257
Number of reflections	50345	3357
<I/σ(I)>	6.35
Completeness [%]	98.2
Redundancy	7.1
CC(1/2)	0.990	0.210

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	100 mM Tris-HCl, 50 mM sodium tartrate, 16-20% PEG8000