8CXT

CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-benzyladenosine (Compound 1)

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	2021-04-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	82.213, 161.667, 230.797
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.230 - 2.610
R-factor	0.1901
Rwork	0.189
R-free	0.22430
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7lnj
RMSD bond length	0.003
RMSD bond angle	0.559
Data reduction software	HKL-2000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.230	2.740
High resolution limit [Å]	2.610	2.610
Rmerge	0.337	2.124
Rpim	0.063	0.678
Number of reflections	91039	8954
<I/σ(I)>	11.3	1.2
Completeness [%]	100.0	99.8
Redundancy	23.8
CC(1/2)		0.468

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