4IFP

X-ray Crystal Structure of Human NLRP1 CARD Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	298
Wavelength(s)	0.97
Spacegroup name	C 1 2 1
Unit cell lengths	187.011, 108.772, 121.266
Unit cell angles	90.00, 120.98, 90.00

Refinement procedure

Resolution	37.492 - 1.995
R-factor	0.1719
Rwork	0.170
R-free	0.20760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3VD8 and 3KAT
RMSD bond length	0.007
RMSD bond angle	1.055
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1217))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	1.995	1.995
Rmerge	0.149	0.783
Number of reflections	139624
<I/σ(I)>	9.4	2.72
Completeness [%]	99.5	99.6
Redundancy	4.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	1.4 M Malonate, 100 mM HEPES 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K