6CVP

Human Aprataxin (Aptx) R199H 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	2013-05-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	39.507, 121.105, 122.314
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.624 - 1.999
R-factor	0.1668
Rwork	0.164
R-free	0.21380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ndf
RMSD bond length	0.011
RMSD bond angle	0.983
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.049	0.021	0.475
Total number of observations	131390
Number of reflections	39638	4212	3360
<I/σ(I)>	10.5
Completeness [%]	97.2	96.6	83.9
Redundancy	3.3	3.5	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	277	100 mM MES, 20% w/v polyethylene glycol 3350