7DUU

Crystal structure of HLA molecule with an KIR receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	87
Detector technology	CCD
Collection date	2020-01-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	82.056, 153.962, 177.556
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.390 - 2.510
R-factor	0.2027
Rwork	0.200
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m4k 4nt6
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.390	2.600
High resolution limit [Å]	2.510	2.510
Rmerge	0.083	0.561
Number of reflections	38710	3797
<I/σ(I)>	11.83
Completeness [%]	99.0
Redundancy	6.3
CC(1/2)	0.961	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2 M Lithium sulfate, 0.1 M Tris pH 8.5, 25% w/v PEG 3350