TABLE 1.
Data collection and refinement statistics
| Ly49C-Q10 | Q10 | |
|---|---|---|
| Data collection statistics | ||
| Temperature (K) | 100 | 100 |
| X-ray source | MX2 Australian Synchrotron | MX1 Australian Synchrotron |
| Space group | I2 | P212121 |
| Cell dimensions | ||
| a, b, c (Å) | 101.0, 57.8, 210.7 | 55.4, 81.7, 97.9 |
| α, β, γ (°) | 90.0, 96.15, 90.0 | 90, 90, 90 |
| Resolution (Å) | 60.45–3.3 (3.56–3.3) | 42.0–2.3 (2.42–2.3) |
| Total no. of observations | 64879 (13432) | 136962 (19918) |
| No. of unique observations | 18565 (3785) | 20349 (2894) |
| Multiplicity | 3.5 (3.5) | 6.7 (6.9) |
| Data completeness (%) | 99.9 (100) | 99.8 (99.6) |
| I/σI | 5.8 (2.1) | 6.6 (2.2) |
| Rmergea (%) | 27.3 (69.1) | 24.1 (95.3) |
| Rpim (%) | 21.0 (52.1) | 9.2 (36.0) |
| Refinement statistics | ||
| Non-hydrogen atoms | ||
| Protein | 7879 | 3126 |
| Water | 0 | 136 |
| Sugar | 0 | 0 |
| Rfactorb (%) | 19.6 | 17.7 |
| Rfree (%) | 25.7 | 24.7 |
| r.m.s.d from ideality | ||
| Bond lengths (Å) | 0.009 | 0.01 |
| Bond angles (°) | 1.05 | 1.09 |
| Ramachandran plot | ||
| Favored regions (%) | 92.8 | 96.8 |
| Allowed regions (%) | 6.2 | 2.9 |
| Disallowed regions (%) | 1.0 | 0.3 |
a Rmerge = Σhkl Σj |Ihkl,j − 〈 Ihkl 〉 |/Σhkl Σj Ihkl,j.
b Rfactor = Σhkl‖Fo| − |Fc‖/Σhkl|Fo| for all data excluding the 5% that comprised the Rfree used for cross-validation.