8CY2

CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor APNEA (Compound 9)

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	2021-07-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	81.531, 161.814, 230.342
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.170 - 2.810
R-factor	0.1725
Rwork	0.171
R-free	0.22200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7lnj
RMSD bond length	0.004
RMSD bond angle	0.618
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.170	2.890
High resolution limit [Å]	2.810	2.810
Rmerge	0.465	3.280
Rpim	0.141	1.080
Number of reflections	74091	7274
<I/σ(I)>	8	1.1
Completeness [%]	99.9	99.9
Redundancy	11.6
CC(1/2)		0.402

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