4QTR

Computational design of co-assembling protein-DNA nanowires

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-23
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 42 2 2
Unit cell lengths	90.098, 90.098, 158.923
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.350 - 3.200
R-factor	0.27
Rwork	0.264
R-free	0.32200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hhd
RMSD bond length	0.012
RMSD bond angle	1.320
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.200	3.020
High resolution limit [Å]	3.100	2.860
Number of reflections	15510
<I/σ(I)>	102.5
Completeness [%]		88.5
Redundancy	10.7	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	298	800 mM, NaCl, 0.2 M Potassium thiocyanate, 20% w/v polyethylene glycerol 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K