7E37

Crystal structure of deoxypodophyllotoxin synthase from Sinopodophyllum hexandrum in complex with 2-oxoglutarate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2020-02-06
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 21 21 2
Unit cell lengths	101.050, 158.287, 51.874
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.020 - 2.090
R-factor	0.1951
Rwork	0.193
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7e38
RMSD bond length	0.003
RMSD bond angle	0.600
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.19rc4_4035)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.160
High resolution limit [Å]	2.090	2.090
Number of reflections	47156	3881
<I/σ(I)>	13	3.16
Completeness [%]	93.5	77.9
Redundancy	3.1	2.5
CC(1/2)	0.971	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1 M Tris-HCl pH 8.5, 0.2 M lithium sulfate, and 25% w/v PEG 3,350