5Y3S

Crystal structure of human NLRP1 leucine rich repeat domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	190
Detector technology	CCD
Collection date	2008-11-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9000
Spacegroup name	H 3 2
Unit cell lengths	141.480, 141.480, 294.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.760 - 2.451
R-factor	0.2139
Rwork	0.211
R-free	0.25880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dfj
RMSD bond length	0.009
RMSD bond angle	1.069
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((dev_2481: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.760	2.539
High resolution limit [Å]	2.451	2.451
Rmerge	0.057	0.953
Rpim	0.027
Number of reflections	41422
<I/σ(I)>	18.99
Completeness [%]	98.9
Redundancy	5.4
CC(1/2)	0.999	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	298	1.6M Sodium Potassium Phosphate, 100mM HEPES, pH 6.4