4NDF

Human Aprataxin (Aptx) bound to RNA-DNA, AMP, and Zn - product complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	40.429, 116.211, 117.141
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.409 - 1.944
R-factor	0.1729
Rwork	0.171
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ndh
RMSD bond length	0.009
RMSD bond angle	1.154
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.944	4.200	1.944
Rmerge	0.078	0.033	0.588
Number of reflections	41518
<I/σ(I)>	16.8
Completeness [%]	99.9	99.6	99.9
Redundancy	4	3.8	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	277	200 mM potassium sodium tartrate, 20% w/v PEG3350, pH 8.5, VAPOR DIFFUSION, temperature 277K