9ZO1

Crystal structure of deoxypodophyllotoxin synthase (DPS) complexed with vanadyl(IV)-oxo, succinate and (-)-hydroxy-yatein

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-02
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	78.927, 87.635, 100.249
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.990 - 2.000
R-factor	0.1641
Rwork	0.161
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.348
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.990	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.173	1.263
Number of reflections	47608	3450
<I/σ(I)>	10.5	1.7
Completeness [%]	99.8
Redundancy	12.6
CC(1/2)	0.997	0.702

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M potassium chloride, 20% (w/v) PEG 3350)