7RFN

CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC8158

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	2021-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	81.831, 161.354, 229.908
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.030 - 2.500
R-factor	0.1957
Rwork	0.195
R-free	0.23160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lt5
RMSD bond length	0.002
RMSD bond angle	0.477
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]	47.030	2.580
High resolution limit [Å]	2.500	2.500
Rmerge	0.301	1.920
Rpim	0.084	0.709
Number of reflections	105380	10298
<I/σ(I)>	12.3	0.9
Completeness [%]	99.3	98.2
Redundancy	12.6	6.9
CC(1/2)		0.397

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