TABLE 1.
Data collection and refinement statistics
| GCaMP2 dimer (PDB 3EK7) | GCaMP2 monomer (PDB 3EK4) | GCaMP2-T116V-K378W (PDB 3EKH) | GCaMP2-T116V-G87R (PDB 3EK8) | 8EF-GCaMP2 (PDB 3EKJ) | |
|---|---|---|---|---|---|
| Data collection | |||||
| Radiation source | APS 31-IDa | ALS BL8.2.2b | APS 31-IDa | Copper anodec | APS 31-IDa |
| Wavelength (Å) | 0.9793 | 1.000 | 0.9793 | 1.5418 | 0.9793 |
| Space group | C2 | P21212 | P41212 | P41212 | C2 |
| Cell dimensions | |||||
| a, b, c (Å) | 126.13, 47.30, 68.94 | 60.49, 68.80, 117.26 | 121.64, 121.64, 97.32 | 120.82, 120.82, 97.35 | 211.87, 47.67, 42.99 |
| α, β, γ (°) | 90, 100.48, 90 | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 | 90, 97.61, 90 |
| Resolution (Å) | 67.79-1.80 (1.90-1.80) | 50.00-2.65 (2.74-2.65) | 25.90-2.00 (2.11-2.00) | 29.30-2.80 (2.90-2.80) | 31.94-2.80 (2.95-2.80) |
| Rsym | 7.6 (42.2) | 7.5 (27.9) | 9.6 (60.1) | 18.4 (57.3) | 15.4 (61.7) |
| I/σI | 18.8 (5.1) | 20.44 (4.2) | 21.5 (4.7) | 8.6 (3.5) | 15.4 (3.2) |
| Completeness (%) | 98.5 (97.6) | 98.7 (92.1) | 100.0 (100.0) | 100.0 (100.0) | 98.9 (98.6) |
| Redundancy | 7.5 (7.6) | 3.1 (3.0) | 14.1 (13.5) | 11.94 (12.04) | 7.1 (7.1) |
| Refinement | |||||
| Resolution (Å) | 1.85 | 2.65 | 2.00 | 2.80 | 2.80 |
| Unique reflections | 33,937 | 14,650 | 49,718 | 18,310 | 10,580 |
| Rwork/Rfree | 0.189/0.241 | 0.222/0.280 | 0.194/0.224 | 0.224/0.266 | 0.210/0.283 |
| No. atoms (AU) | 3,333 | 2,799 | 3,472 | 3,182 | 2,430 |
| Protein | 3,097 | 2,767 | 3,185 | 3,154 | 2,425 |
| Ligand/ion | 4 | 3 | 10 | 4 | |
| Water | 198 | 29 | 277 | 24 | 5 |
| B-factors (Å2)d | |||||
| Protein | 25.4 | 44.0 | 33.4 | 38.8 | 31.1 |
| Ligand/ion | 19.4 | 75.3 | 38.7 | 41.4 | |
| Water | 32.2 | 29.4 | 37.1 | 23.3 | 12.9 |
| Root mean square deviations | |||||
| Bond lengths (Å) | 0.018 | 0.010 | 0.011 | 0.011 | 0.016 |
| Bond angles (°) | 1.735 | 1.336 | 1.332 | 1.335 | 1.691 |
a
APS 31-ID, Advanced Photon Source, Beamline 31-ID.
b
ALS BL8.2.2, Advanced Light Source Beam Line 8.2.2.
c
Data collected on home source using Rigaku Rotating Copper Anode RUH3R.
d
B-factors were calculated on the STAN server using MOLEMAN2 (xray.bmc.uu.se/cgi-bin/gerard/rama_server.pl).