6CVQ

Human Aprataxin (Aptx) H201Q 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	2014-05-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	40.571, 116.049, 117.215
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.409 - 1.650
R-factor	0.1204
Rwork	0.118
R-free	0.16770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ndf
RMSD bond length	0.010
RMSD bond angle	0.992
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	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.076	0.044	0.542
Rmeas	0.083	0.048	0.617
Rpim	0.034	0.020	0.289
Total number of observations	393424
Number of reflections	67271	7160	6283
<I/σ(I)>	9.3
Completeness [%]	99.4	99.9	94.2
Redundancy	5.8	5.9	4.1
CC(1/2)		0.997	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	277	100 mM HEPES, 25% w/v polyethylene glycol 3350