Table 1.

Data collection and refinement statistics for the crystal structure of Trop2 ectodomain.

PDB ID	7PEE
Data collection
X-ray source and beamline	Elettra Synchrotron, XRD2 (11.2C)
Wavelength (Å)	0.9789
Space group	P4322
Cell dimensions
a, b, c (Å)	145.08, 145.08, 217.77
α, β, γ (°)	90, 90, 90
Data statistics
Resolution range (Å) a	48.36–2.81 (2.91–2.81)
Total no. of reflections a	376,492 (36,911)
No. of unique reflections a	57,144 (5604)
Mean I/σ(I) a	15.27 (1.73)
Rmerge (%) a,b	11.88 (127.2)
CC1/2 a,b	0.997 (0.692)
Completeness (%) a	99.59 (99.48)
Redundancy a	6.6 (6.6)
Number of atoms
Total	7620
Protein/Water/Ligands	7476/30/114
Refinement statistics
Rwork/Rfree (%) c	23.94 (26.30)
Root-mean-square deviations
Bond lengths (Å)	0.007
Bond angles (°)	1.07
Ramachandran plot
Favored/Allowed/Outliers (%) d	95.75/4.25/0.00
Rotamer outliers (%) d	1.71
B-factor
Average	75.80
Protein/Ligands/Solvent	75.12/125.23/57.60

^a Values in parentheses refer to the highest resolution shell. ^b $R_{merge}={{\displaystyle \sum }}_{hkl}{{\displaystyle \sum }}_i\left|I_i\left(hkl\right)-\langle I\left(hkl\right)\rangle \right| / {{\displaystyle \sum }}_{hkl}{{\displaystyle \sum }}_i\left|I_i\left(hkl\right)\right|$, where $\langle I(hkl)\rangle$ is the mean insensity of a set of equivalent reflections. ^c  $R_{work}={{\displaystyle \sum }}_{hkl}\left|\left|F_{obs}\right|-\left|F_{calc}\right|\right| / {{\displaystyle \sum }}_{hkl}\left|F_{obs}\right|$, where $F_{obs}$ and $F_{calc}$ are observed and calculated structure factors, respectively. $R_{free}$ was calculated in the same way as $R_{work}$, however only a test set consisting of 5% of data excluded from refinement calculation was used. ^d Values were obtained using MolProbity [34].