Table 1.
Data Collection and Refinement Statistics for the three high resolution structures determined.
| LsAA9A_Ec_1 | LsAA9A_Ec_2 | TaAA9A | |
|---|---|---|---|
| Beamline | BioMAX, MAXIV, Lund | BioMAX, MAXIV, Lund | BioMAX, MAXIV, Lund |
| Wavelength [Å] | 0.9762 | 0.9762 | 0.9538 Å |
| Space group | P41 | P41 | P21 |
| No. of mols/asymmetric unit | 1 | 1 | 2 |
| Cell parameters | |||
| (a, b, c) [Å] | 48.47, 48.47, 109.72 | 48.66, 48.66, 109.59 | 37.65, 89.05, 70.47 |
| (α,β,γ) [º] | 90.0 | 90.0 | 90.0, 103.3, 90.0 |
| Resolution [Å] | 48.5–1.09 (1.15–1.09) * |
48.7–1.09 (1.16–1.09) |
68.6–1.06 (1.12–1.06) |
| Completeness [%] | 97.2 (84.6) | 91.3 (59.7) | 84.2 (40.4) |
| Rmeas [%] | 5.3 (36.1) | 5.9 (113.4) | 5.4 (43.4) |
| I/σ(I) | 7.21 (3.37) | 19.3 (1.5) | 18.6 (3.6) |
| CC1/2 [%] | 99.8 (88.6) | 99.9 (73.1) | 99.9 (89.4) |
| Unique reflections | 102,068 (15,109) | 96,541 (10,733) | 171,807 (12,525) |
| Observed reflections | 1,163,180 (71,657) | 1,157,797 (63,079) | 1,126,749 (54,423) |
| Redundancy | 11.4 (4.7) | 12.0 (5.9) | 6.6 (4.3) |
| No. mol./ASU | 1 | 1 | 2 |
| RWork [%] | 11.23 | 12.35 | 11.73 |
| RFree [%] | 12.75 | 13.93 | 14.00 |
| RMSD | |||
| Bond lengths [Å] | 0.0191 | 0.0196 | 0.0193 |
| Bond Angles [°] | 2.1238 | 2.0322 | 2.3041 |
| Ramachandran Statistics (%) | |||
| Favored | 94.8 | 94.8 | 98.4 |
| Allowed | 5.2 | 5.2 | 1.1 |
| Outlier | 0.0 | 0.0 | 0.4 |
* Highest resolution shell shown in parenthesis.