8J3I

Crystal structure of (S)-scoulerine 9-O-methyltransferase from Coptis chinensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 31 2 1
Unit cell lengths	99.467, 99.467, 99.030
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.860 - 2.390
R-factor	0.2302
Rwork	0.225
R-free	0.28080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.055
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.860	2.540
High resolution limit [Å]	2.390	2.390
Rmerge	0.088
Number of reflections	22428	3294
<I/σ(I)>	3.5
Completeness [%]	98.7
Redundancy	5.5
CC(1/2)		0.130

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	0.1 M Tris pH8.5, 1.7 M Ammonium sulfate