7L4C

Crystal structure of the DRM2-CTT 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	CCD
Collection date	2019-11-01
Detector	Nonius Kappa CCD
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	54.376, 232.512, 117.789
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.290 - 2.110
R-factor	0.1867
Rwork	0.185
R-free	0.21490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4onj
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	48.290	2.170
High resolution limit [Å]	2.110	8.950	2.110
Rmerge	0.132	0.021	2.004
Rmeas	0.145	0.024	2.221
Rpim	0.059	0.010	0.939
Total number of observations		3259	18265
Number of reflections	43203	646	3479
<I/σ(I)>	10.7	46.8	0.9
Completeness [%]	99.2	99	98.1
Redundancy	5.8	5	5.3
CC(1/2)	0.997	0.999	0.337

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	2% v/v Tacsimate TM (pH 6.0), 0.1 M BIS-TRIS (pH 6.5) and 20% w/v Polyethylene glycol 3,350.