9C6V

Crystal Structure of a single chain trimer composed of HLA-B*39:06 Y84C variant, beta-2microglobulin, and NRVMLPKAA peptide from NLRP2 (1 molecule/asymmetric unit)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	74.954, 83.450, 148.638
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.770 - 1.700
R-factor	0.1971
Rwork	0.196
R-free	0.21940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.856
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5156: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.770	1.710
High resolution limit [Å]	1.680	1.680
Rmerge	0.046	0.585
Rmeas	0.050	0.649
Rpim	0.020	0.274
Total number of observations	291767	14117
Number of reflections	52030	2698
<I/σ(I)>	16	1.5
Completeness [%]	97.7
Redundancy	5.6	5.2
CC(1/2)	0.999	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG 3350, 0.2 M Potassium sulfate