Table 1. Data-collection, phasing and refinement statistics.

Values in parentheses are for the highest resolution shell.

Unit-cell parameters (Å, °)	a = 51.85, b = 41.25, c = 55.18, β = 113.4
Space group	P21
Data-collection statistics
Wavelength (Å)	0.9801
Resolution range (Å)	50–2.10 (2.18–2.10)
Unique reflections	12344 (1447)
Completeness (%)	97.5 (84.7)
Mean I/σ(I)	12.2 (2.8)
Multiplicity	6.5 (3.9)
Rmerge†	0.08 (0.37)
Phasing statistics
Phasing power‡ (ano)	1.046
FOM‡ (centric/acentric)	0.040/0.293
FOM after density modification	0.88
Refinement statistics
Resolution range (Å)	47.59–2.1
No. of reflections (work)	11871
No. of reflections (test)	959
R factor/Rfree§	0.247/0.280
B factor from Wilson plot (Å2)	40.6
R.m.s.d. bond lengths (Å)	0.017
R.m.s.d. bond angles (o)	1.80
Average B values (Å2)
Main chain	17.7
Side chain	38.1
No. of non-H atoms	1590
No. of water molecules	49

^† R _merge = , where I _i(hkl) is the intensity of the ith measurement and 〈I(hkl)〉 is the mean intensity for that reflection.

^‡As defined in SHARP.

^§ R factor = , where |F _calc| and |F _obs| are the calculated and observed structure-factor amplitudes, respectively. R _free is the same but for a subset of reflections that were chosen randomly as a test set.