8B27

Dihydroprecondylocarpine acetate synthase from Catharanthus roseus

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	2019-11-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	61.019, 114.015, 143.357
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.460 - 2.450
R-factor	0.2318
Rwork	0.231
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fi3
RMSD bond length	0.004
RMSD bond angle	0.748
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]	46.460	2.538
High resolution limit [Å]	2.450	2.450
Number of reflections	37564	3719
<I/σ(I)>	21.46
Completeness [%]	100.0
Redundancy	13.2
CC(1/2)	0.990	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.26 M ammonium sulfate, 100 mM TRIS buffer pH 8.5 and 200mM lithium sulfate 1 mM NADP+