8CXV

CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	81.460, 161.341, 229.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.880 - 2.260
R-factor	0.1818
Rwork	0.181
R-free	0.20790
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7lnj
RMSD bond length	0.003
RMSD bond angle	0.519
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.880	2.370
High resolution limit [Å]	2.260	2.260
Rmerge	0.244	2.090
Rpim	0.070	0.788
Number of reflections	133608	12562
<I/σ(I)>	10.9	1
Completeness [%]	95.0
Redundancy	12.4
CC(1/2)		0.344

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	21~24% (w/v) polyethylene glycol 3350, 0.1 M Tris-HCl pH 7.0~7.5, 0.28 M potassium citrate