8B25

Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga - stemmadenine acetate bound structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000000
Spacegroup name	P 21 21 21
Unit cell lengths	73.186, 79.845, 130.922
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.920 - 2.240
R-factor	0.1761
Rwork	0.174
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fi3
RMSD bond length	0.015
RMSD bond angle	1.468
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19rc6_4061)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.920	2.320
High resolution limit [Å]	2.240	2.240
Number of reflections	35719	2561
<I/σ(I)>	17.69
Completeness [%]	94.8
Redundancy	12.1
CC(1/2)	0.999	0.586

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	23% w/v PEG 3350, 250 mM sodium sulfate and 0.75 mM stemmadenine acetate