5DSA

Crystal structure of Holliday junctions stabilized by 5-methylcytosine in GCC junction core

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-08
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	65.968, 24.542, 37.992
Unit cell angles	90.00, 111.98, 90.00

Refinement procedure

Resolution	30.587 - 1.690
R-factor	0.2495
Rwork	0.248
R-free	0.27750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p4y
RMSD bond length	0.009
RMSD bond angle	1.187
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.710
High resolution limit [Å]	1.680	4.560	1.680
Rmerge	0.068	0.060	0.245
Rmeas	0.072	0.063	0.302
Rpim	0.023	0.020	0.173
Total number of observations	36747
Number of reflections	6159
<I/σ(I)>	20.7
Completeness [%]	91.8	99.7	23.2
Redundancy	6	9.5	2.1
CC(1/2)		0.999	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	0.78 mM DNA, 1.0 mM Spermine, 3.5 mM CaCl2, 25 mM sodium cacodylate