4N1J

Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-04
Detector	RAYONIX MX-225
Wavelength(s)	0.97973, 0.97626, 1.00801, 0.97985
Spacegroup name	P 63
Unit cell lengths	89.610, 89.610, 107.871
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.790 - 2.600
R-factor	0.2116
Rwork	0.209
R-free	0.25460
Structure solution method	MAD
RMSD bond length	0.004
RMSD bond angle	0.802
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	Auto-Rickshaw
Refinement software	PHENIX ((phenix.refine: 1.8.3_1479))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.790	2.490
High resolution limit [Å]	2.360	2.360
Number of reflections	19457
Completeness [%]	95.9	99.9
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES pH 7.5, 2.6 M Ammonium sulfate and 2% PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 293K