8CXX

CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 6

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	81.757, 161.469, 230.266
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.290 - 2.340
R-factor	0.1811
Rwork	0.181
R-free	0.20760
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7lnj
RMSD bond length	0.004
RMSD bond angle	0.625
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]	44.290	2.430
High resolution limit [Å]	2.340	2.340
Rmerge	0.165	1.460
Rpim	0.048	0.499
Number of reflections	123740	9585
<I/σ(I)>	14.4	1.2
Completeness [%]	96.5
Redundancy	12.1	8.1
CC(1/2)		0.503

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