8CXW

CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor piclidenoson (Compound 4)

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)	1.000000
Spacegroup name	P 21 21 21
Unit cell lengths	81.326, 161.634, 229.602
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.800 - 2.780
R-factor	0.1857
Rwork	0.184
R-free	0.22740
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7lnj
RMSD bond length	0.002
RMSD bond angle	0.475
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]	46.800	2.890
High resolution limit [Å]	2.780	2.780
Rmerge	0.224	1.510
Rpim	0.110	0.789
Number of reflections	76354	7506
<I/σ(I)>	7.4	1.1
Completeness [%]	99.6	99.6
Redundancy	5.1	4.5
CC(1/2)		0.394

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