Table 1. Data-collection and refinement statistics for SaMTAN–FMA.

Values in parentheses are for the last resolution shell.

Space group	P21212
Unit-cell parameters (Å)	a = 58.25, b = 81.67, c = 45.46
Resolution (Å)	32.8–1.70 (1.76–1.70)
Rmerge† (%)	2.8 (11.0)
No. of measured reflections	137412
No. of unique reflections	24529
Redundancy	5.5
Completeness (%)	93.1 (88.1)
Average I/σ(I)	19.9 (5.8)
Rcryst‡	18.2 (26.6)
Rfree‡	18.7 (29.7)
No. of protein atoms	1718
No. of waters	192
No. of ligand atoms	19
R.m.s.d. bonds (Å)	0.010
R.m.s.d. angles (°)	1.4
R.m.s.d. dihedrals (°)	23.8
Average B factor (Å2)
Protein	12.5
Ligand	8.5
Water	23.7
Ramachandran plot§ (%)
Favoured	97
Allowed	3
Cross-validated σA coordinate error (Å)	0.14

^† R _merge = , where I_i(hkl) is the measured intensity for each symmetry-related reflection and 〈I(hkl)〉 is the mean intensity for the unique reflection.

^‡ R _cryst = and R _free = , where ‘s’ refers to a subset of data not used in the refinement that represents 5% of the total number of observations (1110 reflections).

^§As calculated using MOLPROBITY (Lovell et al., 2003 ▶).