1R6Z

The Crystal Structure of the Argonaute2 PAZ domain (as a MBP fusion)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	P 65
Unit cell lengths	89.811, 89.811, 380.326
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 * - 2.801 *
Rwork	0.227
R-free	0.28090 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ANF(no sugar no waters)
RMSD bond length	0.008
RMSD bond angle	1.320
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.105 *	0.548 *
Total number of observations	172206 *
Number of reflections	41500	3383 *
<I/σ(I)>	12.74	1.756
Completeness [%]	97.3	78.9
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	17 *	PEG2KMME, NiCl2, TrisHCl, NaF, meso-erythritol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG2000 MME	15 (%(w/v))
2	1	reservoir		10 (mM)
3	1	reservoir	ethylene glycol	5 (%(v/v))
4	1	reservoir		100 (mM)
5	1	reservoir	meso-erythritol	30 (mM)
6	1	reservoir	Tris-HCl	100 (mM)	pH8.5
7	1	drop	protein	15 (mg/ml)
8	1	drop	Tris-HCl	100 (mM)	pH8.0
9	1	drop		100 (mM)