7UCH

AprA Methyltransferase 1 - GNAT in complex with Mn2+ , SAM, and Di-methyl-malonate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	60.572, 88.283, 135.982
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.230 - 2.180
R-factor	0.1955
Rwork	0.193
R-free	0.24110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b3a
RMSD bond length	0.007
RMSD bond angle	0.900
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.230	2.259
High resolution limit [Å]	2.180	2.181
Number of reflections	38749	3805
<I/σ(I)>	7.37	1.18
Completeness [%]	99.9	99.42
Redundancy	10.6
CC(1/2)	0.995	0.495

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	11mg/mL protein in 50mM Tris pH7.4, 50mM NaCl, 10%(V/V) glycerol, 1mM S-adenosyl-L-homocysteine (SAH), and 5mM MnCl2. Well solution: 15% PEG 3350, 0.1M di-methyl-malonate Protein to well solution ratio is 2:2