7RFM

CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor EPZ004777

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	81.701, 161.167, 230.608
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.890 - 2.680
R-factor	0.1829
Rwork	0.182
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lt5
RMSD bond length	0.004
RMSD bond angle	0.578
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]	46.890	2.790
High resolution limit [Å]	2.680	2.680
Rmerge	0.488	3.650
Rpim	0.086	0.818
Number of reflections	84087	7905
<I/σ(I)>	10.2	1
Completeness [%]	98.6	93.9
Redundancy	30.4
CC(1/2)		0.320

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