8B26

Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga

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)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	74.422, 78.124, 131.207
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.640 - 2.420
R-factor	0.216
Rwork	0.214
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fi3
RMSD bond length	0.003
RMSD bond angle	0.693
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.640	2.500
High resolution limit [Å]	2.420	2.420
Number of reflections	29565	2702
<I/σ(I)>	16.49
Completeness [%]	99.0
Redundancy	11.6
CC(1/2)	0.990	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	17% w/v PEG 3350, 200 mM ammonium chloride and 0.75 mM angryline