Table 1 Statistics of data collection and refinement of CBA120 TSP2.

Data collection

Wavelength (Å)

1.0332

Resolution (Å)^a

48.36–1.85 (1.88–1.85)

Space group

P 2₁2₁2₁

Unit cell dimension (Å, °)

a = 83.0, b = 259.0, c = 269.7

No. of molecules in the asymmetric unit

6 (two trimers)

No. of unique reflections^a

491,364 (24,214)

Multiplicity^a

5.0 (5.0)

Completeness (%)^a

99.8 (100.0)

Mean I/σ(I)^a,b

7.9 (0.9)

R_merge^a

0.131(2.175)

Refinement

Resolution (Å)^a

48.36–1.9 (1.95–1.90)

Total no. of reflections^a

430,672 (31,614)

R_work/R_free^a,b

0.168 (0.319)/0.188 (0.316)

No. protein residues

4,533

Ligands

117

Solvent

3,887

RMSD from ideal geometry bonds length (Å)/bond angles (°)

0.011/1.74

Ramachandran plot: favored/allowed/outliers (%)

95.13/4.62/0.24