8E2Z

Structures of HLA-B8E76C loaded with long peptides reveal novel features at the N-terminus of the groove

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	103
Detector technology	CCD
Collection date	2020-08-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	50.742, 81.388, 110.985
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.840 - 1.130
R-factor	0.19061
Rwork	0.189
R-free	0.21701
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6p2s
RMSD bond length	0.015
RMSD bond angle	1.403
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	99.000	99.000	1.160
High resolution limit [Å]	1.070	2.910	1.130
Rmerge	0.025	0.027	0.005
Rmeas	0.036	0.038	0.005
Rpim	0.025	0.027	0.005
Total number of observations	328562
Number of reflections	196900	9121	9940
<I/σ(I)>	20
Completeness [%]	98.3	86.2	100
Redundancy	1.7	1.9	1
CC(1/2)	0.992	0.981	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		277	0.2 M ammonium acetate, 15% PEG 4000, 0.1 M sodium citrate, pH5.6,