7KUL

DNA modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	99
Detector technology	CCD
Collection date	2020-10-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	P 3 2 1
Unit cell lengths	47.443, 47.443, 82.803
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.640
Rwork	0.208
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uee
RMSD bond length	0.023
RMSD bond angle	2.880
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.670
High resolution limit [Å]	1.640	1.640
Rmerge	0.075	0.314
Rmeas	0.079	0.339
Rpim	0.026	0.123
Number of reflections	13719	643
<I/σ(I)>	24.9	5.3
Completeness [%]	99.0	97.4
Redundancy	9.6	5.4
CC(1/2)	0.985	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2 M Magnesium acetate tetrahydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 30% v/v (+/-)-2-Methyl-2,4-pentanediol, 50 mM Magnesium Chloride