6CVS

Human Aprataxin (Aptx) L248M bound to DNA, AMP and Zn product

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	2012-11-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	40.384, 116.316, 117.559
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.889 - 2.110
R-factor	0.175
Rwork	0.174
R-free	0.19640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ndf
RMSD bond length	0.004
RMSD bond angle	0.611
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.190
High resolution limit [Å]	2.110	4.540	2.110
Rmerge	0.106	0.055	0.583
Number of reflections	31283	3160	3087
<I/σ(I)>	6.8
Completeness [%]	95.4	89.8	96.9
Redundancy	4.7	4.7	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	100 mM MES, 25% w/v polyethylene glycol 4000