8CY4

CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 16

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	2021-11-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	81.313, 161.764, 229.946
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.100 - 2.340
R-factor	0.1735
Rwork	0.173
R-free	0.20710
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7lnj
RMSD bond length	0.003
RMSD bond angle	0.559
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]	44.100	2.430
High resolution limit [Å]	2.340	2.350
Rmerge	0.251
Rpim	0.076
Number of reflections	122653	9584
<I/σ(I)>	10.2
Completeness [%]	96.6
Redundancy	10.9
CC(1/2)	0.801	0.362

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	21-24% PEG 3350, 0.1 M Tris-HCl pH 7-7.5, 0.28M Potassium Citrate