6CVT

Human Aprataxin (Aptx) V263G 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	2014-07-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	40.727, 113.131, 124.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.961 - 2.941
R-factor	0.2482
Rwork	0.246
R-free	0.28920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ndh
RMSD bond length	0.011
RMSD bond angle	1.435
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.050
High resolution limit [Å]	2.940	6.330	2.940
Rmerge	0.071	0.033	0.406
Rmeas	0.081	0.039	0.469
Rpim	0.039	0.020	0.230
Total number of observations	50676
Number of reflections	12827	1395	1206
<I/σ(I)>	7.6
Completeness [%]	99.4	98	96.9
Redundancy	4	3.6	3.9
CC(1/2)		0.997	0.878

Crystallization Conditions

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