8CXS

CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor MTA

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	2021-03-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000000
Spacegroup name	P 21 21 21
Unit cell lengths	81.970, 161.159, 230.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.870 - 2.490
R-factor	0.1803
Rwork	0.180
R-free	0.21290
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7lnj
RMSD bond length	0.003
RMSD bond angle	0.552
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]	41.870	2.580
High resolution limit [Å]	2.490	2.490
Rmerge	0.292	2.295
Rpim	0.074	0.700
Number of reflections	106240	10108
<I/σ(I)>	11.4	1.3
Completeness [%]	99.6
Redundancy	14.9
CC(1/2)		0.469

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