6B1Q

Hydrogen Bonding Complementary, not size complementarity is key in the formation of the double helix

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-15
Detector	RAYONIX MX-225
Wavelength(s)	0.97931
Spacegroup name	P 21 21 2
Unit cell lengths	55.278, 146.282, 46.941
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.696 - 1.900
R-factor	0.206
Rwork	0.204
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xo0
RMSD bond length	0.008
RMSD bond angle	1.034
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	146.282	146.282	2.000
High resolution limit [Å]	1.896	5.990	1.900
Rmerge	0.088	0.044	0.470
Rmeas	0.104	0.053	0.551
Rpim	0.039	0.021	0.208
Number of reflections	31032		30353
<I/σ(I)>	14.4	12.1	1.6
Completeness [%]	99.8	98.5	99.6
Redundancy	7	6.2	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	6 % PEG 4000, 5 mM magnesium acetate and 50 mM ADA (pH 6.5)