7WJ3

Crystal structure of HLA-C*1402 complexed with 4-mer lipopeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-20
Detector	RAYONIX MX-225
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	91.050, 77.508, 60.637
Unit cell angles	90.00, 120.93, 90.00

Refinement procedure

Resolution	38.754 - 1.563
R-factor	0.170925152586
Rwork	0.170
R-free	0.18747
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w6a
RMSD bond length	0.009
RMSD bond angle	0.917
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.590
High resolution limit [Å]	1.560	1.560
Rmerge	0.044	0.390
Number of reflections	50958	2167
<I/σ(I)>	49.5	4.8
Completeness [%]	99.2
Redundancy	7.4
CC(1/2)	0.998	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.7	277	200 mM ammonium acetate, 100 mM sodium acetate, 5 % ethylene glycol, 25 % PEG Smear Low