7RFL

CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC0946

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	2021-02-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	81.442, 161.741, 229.853
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.870 - 2.380
R-factor	0.2047
Rwork	0.204
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lt5
RMSD bond length	0.003
RMSD bond angle	0.545
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]	41.870	2.480
High resolution limit [Å]	2.380	2.380
Rmerge	0.206	1.780
Rpim	0.062	0.615
Number of reflections	111448	9690
<I/σ(I)>	10.4	1.5
Completeness [%]	91.6	80.4
Redundancy	10.8
CC(1/2)		0.258

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