Table 1. Data collection and refinement statistics.
| Native | EMTS1 | EMTS2 | PCMBS1 | PCMBS2 | |
|---|---|---|---|---|---|
| Data collection | |||||
| Space group | C2221 | C2221 | C2221 | C2221 | C2221 |
| Cell dimensions | |||||
| a, b, c (Å) α=β=γ=90° |
69.6, 122.7, 158.6 |
69.1, 123.2, 158.6 |
69.7, 123.5, 158.7 |
69.5, 123.1, 158.8 |
69.7, 123.0, 158.6 |
| Resolution (Å) | 2.00 (2.05– 2.00) * |
2.45 (2.55– 2.45) |
2.09 (2.15– 2.09) |
2.29 (2.37– 2.29) |
2.30 (2.38– 2.30) |
| Resolution (Å) along a, b, c a |
2.69, 2.51, 2.00 |
3.37, 2.83, 2.45 |
2.86, 2.95, 2.09 |
3.07, 2.81, 2.29 |
3.04, 2.63, 2.30 |
| R merge | 0.103 (0.96) | 0.131 (1.50) | 0.117 (1.37) | 0.105 (1.09) | 0.104 (1.57) |
| Rmeas b | 0.134 (1.50) | 0.181 (1.88) | 0.147 (1.79) | 0.129 (1.39) | 0.135 (2.02) |
| CC1/2 c | 0.994 (0.59) | 0.994 (0.50) | 0.995 (0.42) | 0.996 (0.65) | 0.996 (0.77) |
| I / σI | 6.9 (0.9) | 7.9 (1.1) | 5.9 (0.7) | 8.4 (1.1) | 7.6 (1.1) |
| Completeness (%) | 99.7 (99.5) | 96.6 (98.4) | 99.5 (97.9) | 99.1 (97.2) | 99.4 (99.7) |
| Multiplicity | 4.0 (3.4) | 4.1 (4.1) | 4.4 (3.8) | 4.8 (4.3) | 4.0 (4.1) |
| Wilson <B> (Å2) | 33 | 55 | 38 | 47 | 44 |
| Anomalous completeness (%) |
– | 90.2 (93.2) | 96.1 (84.3) | 95.6 (91.3) | 96.4 (98.4) |
| CC1/2 on Δanom (inner bin) |
– | 0.28 (0.76) | 0.04 (0.31) | 0.05 (0.29) | 0.30 (0.82) |
| Refinement | |||||
| Resolution (Å) | 2.00 | ||||
| No. reflections | 43692 | ||||
| Rwork / Rfree | 0.213 / 0.251 | ||||
| No. atoms | 2924 | ||||
| Protein | 2715 | ||||
| Water | 209 | ||||
| B–factors (Å2) | |||||
| VAMP7, Varp | 45, 53 | ||||
| R.m.s. deviations | |||||
| Bond lengths (Å) | 0.018 | ||||
| Bond angles (°) | 1.8 |
*
Values in parentheses are for highest–resolution shell.
a
Resolution estimates based on half–dataset correlation coefficients CC1/2 > 0.5, calculated in cones along a*, b*, c* of semi–angle 20°
b
Rmeas = Σ(n/n–1)1/2 (Ihl – <Ih>)/Σ<Ih>
c
CC1/2 is correlation coefficient on <I> between random half–datasets