4XW3

Crystal structure of the SPRY domain of the human DEAD-box protein DDX1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-10
Detector	PSI PILATUS 6M
Wavelength(s)	1.06998
Spacegroup name	P 21 21 21
Unit cell lengths	45.060, 76.140, 122.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.780 - 2.000
R-factor	0.2015
Rwork	0.200
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3toj
RMSD bond length	0.009
RMSD bond angle	1.139
Data reduction software	XDS (VERSION December 29, 2011)
Data scaling software	XSCALE (VERSION December 29, 2011)
Phasing software	PHASER (1.3.3)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.780		2.100
High resolution limit [Å]	2.000	10.000	2.000
Rmerge	0.076	0.022	0.563
Rmeas	0.079	0.023	0.586
Total number of observations	367329
Number of reflections	28891	283	3815
<I/σ(I)>	23.63	67.61	6.52
Completeness [%]	98.6	99.3	97.6
Redundancy	12.71		12.69

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	35 % (v/v) PEG 600, 0.1 M tri-Sodium-citrate pH 5.5 - crystals appeared after 3 days and grew as single crystals