6B1S

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	2016-08-18
Detector	RAYONIX MX-225
Wavelength(s)	0.97931
Spacegroup name	P 21 21 21
Unit cell lengths	53.119, 95.797, 144.488
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.742 - 2.000
R-factor	0.2182
Rwork	0.217
R-free	0.25130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xo0
RMSD bond length	0.003
RMSD bond angle	0.705
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.1)
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.680	35.680	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.116	0.059	0.688
Rmeas	0.125	0.066	0.740
Rpim	0.046	0.029	0.270
Number of reflections	50699		3708
<I/σ(I)>	14.7
Completeness [%]	99.9	90.5	100
Redundancy	7.4	5.6	7.4
CC(1/2)	0.994	0.970	0.793

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)