Table 1.

Data collection and refinement statistics for HLA-B*0801E76C complexes

	10-mer	12-mer	14-mer	20-mer	14-mer mutant
Data collection
Wavelength	0.97872	0.97872	0.97872	0.97872	0.97872
Space group	P212121	P212121	P212121	P212121	P212121
Cell dimensions
a, b, c (Å)	50.6, 80.9, 108.7	50.5, 81.4, 110.6	50.6, 81.3, 110.7	50.8, 81.8, 111.9	50.8, 81.9, 111.1
α, β, γ (degrees)	90		90	90	90
Resolution (Å)	64.91–1.65	19.66–1.59	20.0–1.59	37.6–1.40	19.21–1.48
	(1.69–1.65)a	(1.65–1.59)	(1.65–1.59)	(1.45–1.40)	(1.53–1.48)
Rmerge	0.072	0.053	0.052	0.06	0.07
I/σI	13.6 (1.7)	7.2 (1.5)	22.1 (3.7)	19.1 (2.5)	11.67 (1.58)
Completeness (%)	98.9 (93.4)	99.5 (95.2)	99.3 (96.0)	99.9 (99.6)	98.8 (93.9)
Redundancy	5.7 (4.6)	3.6 (2.9)	8.1 (6.5)	9.2 (8.8)	5.6 (4.5)
Refinement
No. of reflections	51,165	61,192	61,436	93,207	76,357
Rwork/Rfree	20.4/21.4 (43.5/44.7)	19.5/22.7 (29.9/34.5)	19.2/21.3 (22.5/26.5)	19.6/21.0 (23.9/25.6)	21.4/24.5 (29.5/32.3)
No. of atoms
Protein	3147	3139	3147	3139	3142
Water	243	261	236	311	274
B-factors
Protein	33.9	21.4	20.2	19.6	25.6
Water	38.4	27.1	24.9	26.9	32.7
r.m.s. deviations
Bond lengths (Å)	0.032	0.009	0.006	0.005	0.011
Bond angles (degrees)	2.21	1.3	1.07	1.02	1.35
Ramachandran plot
Most favored regions (%)	98.1	98.7	98.4	99.0	98.7
Allowed regions (%)	1.9	1.3	1.6	1.0	1.3
Disallowed regions (%)	0	0	0	0	0

^a Values in parentheses are for the highest-resolution shell.