3KAT

Crystal Structure of the CARD domain of the human NLRP1 protein, Northeast Structural Genomics Consortium Target HR3486E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97882
Spacegroup name	P 41 21 2
Unit cell lengths	40.708, 40.708, 160.413
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 3.100
Rwork	0.202
R-free	0.26000
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELX (then SOLVE/RESOLVE)
Refinement software	CNS (1.2 & XtalView)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.210
High resolution limit [Å]	3.100	3.100
Rmerge	0.065	0.157
Number of reflections	3795
<I/σ(I)>	18.01	3.79
Completeness [%]	80.3	54.9
Redundancy	5.2	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: 18% PEG3350 and 150 mM sodium formate., VAPOR DIFFUSION, HANGING DROP, temperature 291K