4NCB

Structure of Thermus thermophilus Argonaute bound to guide DNA and 19-mer target DNA with Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	84.736, 105.363, 92.058
Unit cell angles	90.00, 94.25, 90.00

Refinement procedure

Resolution	39.216 - 2.189
R-factor	0.1776
Rwork	0.175
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hm9
RMSD bond length	0.009
RMSD bond angle	1.115
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.189	5.970	2.189
Rmerge	0.073	0.037	0.455
Number of reflections	75224
<I/σ(I)>	12.9
Completeness [%]	91.2	97.9	88.6
Redundancy	2.8	3.5	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	306	18 mM magnesium chloride, 9% isopropanol, 50 mM sodium cacodylate, pH 6.5, 2.25 mM spermine, VAPOR DIFFUSION, HANGING DROP, temperature 306K