9WHZ

N-methyltransferase 1 complexed with SAH and MCM in Chimonanthus praecox

This is a non-PDB format compatible entry.

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	2024-09-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	C 1 2 1
Unit cell lengths	187.118, 46.727, 84.522
Unit cell angles	90.00, 99.50, 90.00

Refinement procedure

Resolution	46.140 - 1.830
R-factor	0.1674
Rwork	0.166
R-free	0.19680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.859
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.660	1.930
High resolution limit [Å]	1.830	1.830
Rmerge	0.117	0.804
Rmeas	0.127	0.870
Rpim	0.049	0.330
Total number of observations	422711	62617
Number of reflections	63558	9239
<I/σ(I)>	11.8	2.5
Completeness [%]	99.9
Redundancy	6.7	6.8
CC(1/2)	0.997	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M Ammonium tartrate dibasic pH7.0, 22% w/v PEG 3350, 5% v/v glycerol