8J3G

Crystal structure of apo (S)-norcoclaurine 6-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	2019-12-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	76.479, 103.935, 101.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.980 - 2.300
R-factor	0.1947
Rwork	0.193
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.879
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.300
High resolution limit [Å]	2.300	2.300
Rmerge	0.060
Number of reflections	18402	891
<I/σ(I)>	4.3
Completeness [%]	100.0
Redundancy	11.4
CC(1/2)		0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293.15	0.1 M MES (pH=6.0), 8% PEG400, 0.05 M sodium fluoride