9R6Y

Pyrin B30.2 domain, FMF mutation R653H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2009-05-29
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	42.795, 60.595, 84.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.080 - 1.260
R-factor	0.13257
Rwork	0.131
R-free	0.15670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.972
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.790	1.280
High resolution limit [Å]	1.260	1.260
Rmerge	0.099	1.547
Rmeas	0.100	1.585
Rpim	0.015	0.337
Total number of observations	2378289	26612
Number of reflections	53527	1344
<I/σ(I)>	31.1	1.8
Completeness [%]	89.4
Redundancy	44.4	19.8
CC(1/2)	1.000	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M Na-Acetate, pH 5.5; 0.2 M KSCN; 25 % (w/v) PEG 2k MME