Table 1.
Data collection and Refinement Statistics
| Wild Type FliFC:FliGN complex | Selenomethionine FliFC:FliGN complex | |
|---|---|---|
| Wavelength (Å) | 0.97700 | 0.97921 |
| Synchrotron | CHESSa | APSb |
| Beam-line | A1 | 24-ID-E |
| Space group | P21 | P21 |
| a, b, c (Å) | 49.18, 59.33, 51.72 | 48.81, 59.24, 51.76 |
| α, β, γ (°) | 90.00, 115.59, 90.00 | 90.00, 115.76, 90.00 |
| Resolution (Å) | 50.0 - 2.10 (2.15 - 2.10) | 50.0 - 2.60 (2.66 - 2.60) |
| †Rmerge (%) | 8.2 | 12.2 |
| †Rp.i.m. (%) | 5.5 (21.8) | 5.3 (15.8) |
| †Rmeas (%) | 9.9 (35.5) | 13.3 (38.8) |
| ▪I/σ(I)▪ | 13.4 (3.2) | 14.8 (7.0) |
| Completeness (%) | 99.5 (99.6) | 99.2 (99.5) |
| Multiplicity | 3.1 (2.4) | 6.0 (6.0) |
| Anomalous completeness (%) | 98.1 | |
| Mosaicity | 0.43 – 0.81 | 0.63 – 2.55 |
| Total Reflections | 47,958 | 46, 599 |
| Phaser FOM | 0.341 | |
| Refinement | ||
| Resolution (Å) | 44.35 - 2.10 (2.18–2.10) | |
| No. of unique reflections | 15,618 (1559) | |
| Reflections used for Rfree | 1556 (161) | |
| Rwork/Rfree (%) | 16.9 (17.4)/21.7 (23.7) | |
| Clash Score | 4.70 | |
| No. of non-hydrogen atoms | 2263 | |
| Protein | 2090 (260 residues) | |
| Water | 173 | |
| B factors (Å2) | ||
| Wilson | 18.1 | |
| Average B-factors | 24.3 | |
| Protein | 23.7 | |
| Water | 31.8 | |
| R.M.S. deviations | ||
| Bond lengths (Å) | 0.007 | |
| Bond angles (°) | 0.9 | |
| Ramachandran outliers (%) | 0.4 | |
| Rotamer outliers (%) | 1.3 | |
Statistics for the highest-resolution shell are shown in parenthesis,
†
Ri = ΣΣi|Ii − <Ii>|/ΣΣi Ii
a
Cornell High Energy Synchrotron Source - Cornell University
b
Advanced Photon Source - Argonne National Lab