4XHS

Crystal structure of human NLRP12 PYD domain and implication in homotypic interaction

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]	110
Detector technology	IMAGE PLATE
Collection date	2012-10-22
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.033
Spacegroup name	P 2 21 21
Unit cell lengths	52.720, 103.620, 186.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.988 - 1.700
R-factor	0.1606
Rwork	0.160
R-free	0.19010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vd8 2l6a
RMSD bond length	0.006
RMSD bond angle	0.996
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1683)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.051	0.287
Number of reflections	110662
<I/σ(I)>	22.4	3.7
Completeness [%]	97.5	85.3
Redundancy	3.5	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	3.5 M Sodium Formate, 0.1 M Sodium Acetate pH 4.6