4E9M

NOD1 card domain with three disulfide-clinched, domain-swapped dimers in the asymmetric unit

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-01
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9770
Spacegroup name	P 21 21 21
Unit cell lengths	82.846, 85.335, 113.682
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.840 - 2.150
R-factor	0.245
Rwork	0.245
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nz7
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	50.000	2.190
High resolution limit [Å]	2.150	5.830	2.150
Number of reflections	34341
<I/σ(I)>	9.66	17	0.79
Completeness [%]	75.9	97.8	7
Redundancy	3.6	3.9	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	288	2.07 M AMMONIUM CITRATE (DIBASIC), 6.7% (W/V) PEG3350, 10 mM TRIS-HCL FINAL PH ~5.2, VAPOR DIFFUSION, HANGING DROP, temperature 288K