Table 3.
Crystallographic statistics for synaptotagmin-1 with bound SV2A peptide phosphorylated at Thr84
| Structure/PDB code | SYT1–SV2A peptide/4v11 |
|---|---|
| Data collection | |
| Space group | P 1 21 1 |
| Wavelength (Å) | 1.54178 |
| Unit-cell parameters | |
| a, b, c (Å) | 46.05, 41.43, 48.01 |
| α, β, γ (°) | 90.00, 96.59, 90.00 |
| Resolution range (Å)a | 31.28–1.95 (2.02–1.95) |
| n reflections | 25874 (2156) |
| Unique reflections | 13172 (1209) |
| Completeness (%) | 99.0 (98.2) |
| Rmerge (within I+/I−)b | 0.01496 (0.03459) |
| Multiplicity | 2.0 (1.8) |
| Mean(I)/σ(I) | 58.93 (23.39) |
| Model refinement | |
| Rwork/Rfree (%)c,d | 15.12/19.56 (12.91/19.38) |
| Wilson B (Å2) | 10.0 |
| Overall average B (Å2) | 11.0 |
| n protein residues (atoms) | 160 (1286) |
| n ligands (atoms) | 3 Ca2+, 1 glycerol (9) |
| n waters (atoms) | 147 (147) |
| Ramachandran plot analysis | |
| Favored regions | 97% |
| Allowed regions | 3% |
| Outliers | 0% |
| Rms deviations | |
| Bond lengths (Å) | 0.007 |
| Bond angles (Å) | 1.004 |
↵aValues in parentheses refer to the highest resolution shell.
↵b
, where Ihkl,i is the intensity of the ith measurement of reflection hkl and 〈Ihkl〉 is the mean value of Ihkl,i for all i measurements.↵c
, where Fobs is the observed structure factor, and Fcalc is the calculated structure factor.↵dRfree is the same as Rwork except calculated with a subset, 5%, of data that are excluded from the refinement calculations. The PDB accession code is 4V11.
