Table 1. Refinement and final model statistics for dsHCAII.

Values in parentheses are for the highest resolution bin.

PDB code	4hba
Wavelength (Å)	1.5418
Space group	P21
Unit-cell parameters (Å, °)	a = 42.3, b = 41.2, c = 71.6, β = 104.2
Total No. of measured reflections	96044
Total No. of unique reflections	23307
Resolution (Å)	20.0–1.77 (1.83–1.77)
R merge † (%)	7.0 (50.0)
〈I/σ(I)〉	13.5 (2.7)
Completeness (%)	98.2 (98.9)
Multiplicity	4.1 (4.2)
R cryst ‡ (%)	15.0
R free § (%)	18.9
No. of residues	257
No. of protein atoms (including alternate conformations)	2301
No. of water molecules	203
R.m.s.d.
Bond lengths (Å)	0.010
Angles (°)	1.297
Ramachandran statistics (%)
Allowed	100.0
Most favored	96.8
Outliers	0.0
Average B factors (Å2)
All	19.5
Main chain	18.7
Side chain	20.7
Solvent	29.2
Cα r.m.s.d.¶ (Å)	0.2

^† R _merge = × 100.

^‡ R _cryst = − × 100.

^§ R _free is calculated in the same way as R _cryst except that it is calculated for data that were omitted from refinement (5% of reflections).

^¶Root-mean-square deviation of the C^α backbone compared with HCA II (PDB entry 3ks3).