8VPI

CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 462

This is a non-PDB format compatible entry.

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	2021-09-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	81.588, 161.260, 235.716
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.770 - 2.890
R-factor	0.2038
Rwork	0.203
R-free	0.24490
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.003
RMSD bond angle	0.507
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]	47.770	2.990
High resolution limit [Å]	2.890	2.890
Rmerge	0.321	2.660
Rpim	0.093	1.010
Number of reflections	69180	6105
<I/σ(I)>	8.5	0.7
Completeness [%]	98.5
Redundancy	11.3
CC(1/2)		0.309

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