6B1R

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	55.214, 146.194, 47.073
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.857 - 1.690
R-factor	0.2035
Rwork	0.202
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xo0
RMSD bond length	0.006
RMSD bond angle	0.915
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	146.194	146.194	1.780
High resolution limit [Å]	1.690	5.350	1.691
Rmerge	0.066	0.037	0.644
Rmeas	0.078	0.045	0.762
Rpim	0.030	0.018	0.295
Number of reflections	43517		27515
<I/σ(I)>	15.5	15.1	1.2
Completeness [%]	99.9	96.8	100
Redundancy	6.9	6.3	6.5

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)