9GVW

NNMT-SAH IN COMPLEX WITH 4

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	61.887, 69.818, 116.789
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.310 - 1.241
R-factor	0.1973
Rwork	0.197
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.180
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]	46.300	1.280
High resolution limit [Å]	1.240	1.240
Rmerge	0.049	0.860
Number of reflections	112304	2000
<I/σ(I)>	14.3
Completeness [%]	78.4
Redundancy	5.3

Crystallization Conditions

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