8CXY

CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-(2-Phenethyl)adenosine (Compound 8)

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	2021-06-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	81.359, 161.361, 229.752
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.020 - 2.190
R-factor	0.1753
Rwork	0.175
R-free	0.20570
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7lnj
RMSD bond length	0.004
RMSD bond angle	0.610
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]	48.710	2.270
High resolution limit [Å]	2.190	2.190
Rmerge	0.166	1.930
Rpim	0.040	0.575
Number of reflections	147745	12844
<I/σ(I)>	14.9	1.4
Completeness [%]	95.0
Redundancy	14.4	9.1
CC(1/2)		0.762

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