9H5E

NNMT-SAH IN COMPLEX WITH 1p

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97995
Spacegroup name	P 21 21 21
Unit cell lengths	61.590, 208.000, 114.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.110 - 1.896
R-factor	0.2951
Rwork	0.293
R-free	0.32540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BUSTER
Refinement software	BUSTER (2.11.8 (8-JUN-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.100	1.940
High resolution limit [Å]	1.900	1.900
Number of reflections	116672	1497
<I/σ(I)>	5.5
Completeness [%]	99.2
Redundancy	6.5
CC(1/2)	1.000	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	32% PEG3350, 0.2 M NaAc, and 0.1 M Hepes pH 6.8-7.5