7LIU

DDX3X bound to ATP analog and remodeled RNA:DNA hybrid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	200
Detector technology	CCD
Collection date	2016-08-09
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	114.476, 114.476, 281.793
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.540 - 3.001
R-factor	0.2112
Rwork	0.210
R-free	0.24120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pxa
RMSD bond length	0.008
RMSD bond angle	1.083
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.110
High resolution limit [Å]	3.000	3.000
Rmeas	0.121	0.964
Rpim	0.044	0.379
Number of reflections	43593	4265
<I/σ(I)>	20.7	1.6
Completeness [%]	99.7	99.7
Redundancy	7	6.2
CC(1/2)		0.641

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1 M HEPEs pH 7.5, 16% PEG 3350, 0.1 M Li3Citrate, 0.1 M Na3Citrate, 2% benzamidine-HCl, 5 mM ADP-BeF3