8T1U

Crystal structure of the DRM2-CTA DNA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-31
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97741
Spacegroup name	C 2 2 21
Unit cell lengths	54.469, 232.853, 118.497
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.410 - 2.910
R-factor	0.2109
Rwork	0.206
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.737
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.260	0.100	0.804
Rmeas	0.316	0.122	0.990
Rpim	0.177	0.068	0.568
Total number of observations	48468
Number of reflections	16195	1686	1510
<I/σ(I)>	2.7
Completeness [%]	95.3	92	90.3
Redundancy	3	2.9	2.6
CC(1/2)	0.888	0.984	0.545

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.2 M Ammonium citrate tribasic and 20% w/v polyethylene glycol 3350 (pH 7.0)