7BH8

3H4-Fab HLA-E-VL9 co-complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	293.5
Detector technology	PIXEL
Collection date	2020-02-16
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	C 1 2 1
Unit cell lengths	190.433, 73.695, 159.727
Unit cell angles	90.00, 101.63, 90.00

Refinement procedure

Resolution	54.740 - 1.800
R-factor	0.1972
Rwork	0.195
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gh4 6hgu
RMSD bond length	0.004
RMSD bond angle	0.683
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.740	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.057	1.289
Number of reflections	196943	9653
<I/σ(I)>	15	0.5
Completeness [%]	98.1
Redundancy	6.9
CC(1/2)	0.998	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.5	20% PEG 8000, 0.1 M NA HEPES