4YWQ

Crystal structure of the ROQ domain of human Roquin-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97926
Spacegroup name	C 1 2 1
Unit cell lengths	171.205, 29.560, 59.926
Unit cell angles	90.00, 101.55, 90.00

Refinement procedure

Resolution	50.000 - 1.700
R-factor	0.1998
Rwork	0.199
R-free	0.23690
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.388
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.125	0.085	0.729
Rmeas	0.140	0.096	0.829
Rpim	0.063	0.043	0.389
Total number of observations	157706
Number of reflections	32886
<I/σ(I)>	7.1
Completeness [%]	99.6	97.1	99.9
Redundancy	4.8	4.7	4.3
CC(1/2)		0.990	0.642

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Protein mixed with elastase at 1:1000 (w/w) ratio right before crystallization, 25% PEG8000, 0.2 M sodium chloride, 0.1 M HEPES, pH 7.5