6B3A

AprA Methyltransferase 1 - GNAT didomain in complex with Mn2+ and SAM

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	2017-06-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	60.519, 87.050, 135.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.671 - 1.784
R-factor	0.1816
Rwork	0.180
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b39
RMSD bond length	0.007
RMSD bond angle	0.858
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.7.18)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.671	46.671	1.890
High resolution limit [Å]	1.780	5.320	1.780
Rmerge	0.071	0.032	0.791
Rmeas	0.083	0.037	0.942
Total number of observations	227187
Number of reflections	65840	2461	10533
<I/σ(I)>	10.72	32.02	1.36
Completeness [%]	95.3	87.1	95.3
Redundancy	3.451	3.679	3.278
CC(1/2)	0.998	0.999	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.15 M DL-malic acid, pH 7, 20% PEG3350