9WHW

N-methyltransferase 3 in Chimonanthus praecox

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97861
Spacegroup name	P 41 21 2
Unit cell lengths	77.603, 77.603, 289.408
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.350 - 2.280
R-factor	0.2043
Rwork	0.202
R-free	0.25810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.453
Data reduction software	PROCOR
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]	72.350	2.400
High resolution limit [Å]	2.280	2.280
Number of reflections	41401	5577
<I/σ(I)>	10
Completeness [%]	99.2
Redundancy	23.9
CC(1/2)	0.992	0.301

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Lithium citrate tribasic tetrahydrate pH 8.3, 20% w/v PEG 3350