3TS9

Crystal Structure of the MDA5 Helicase Insert Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-22
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0750
Spacegroup name	P 21 21 21
Unit cell lengths	23.878, 57.618, 90.332
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.546 - 2.003
R-factor	0.1943
Rwork	0.193
R-free	0.22160
Structure solution method	MAD
RMSD bond length	0.002
RMSD bond angle	0.578
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.13)
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.090
High resolution limit [Å]	2.003	4.350	2.003
Rmerge	0.122	0.070
Number of reflections	8873
<I/σ(I)>	8.1
Completeness [%]	100.0	99.7	100
Redundancy	6.7	6.1	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	Crystal #1: 1.9 M ammonium sulfate, 49 mM sodium phosphate, 49 mM glycine, 14 mM succinic acid, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
2	VAPOR DIFFUSION, HANGING DROP	9	293	Crystal #2: 2.0 M ammonium sulfate, 49 mM sodium phosphate, 49 mM glycine, 14 mM succinic acid, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K