Table 2. Data collection and refinement statistics.
| APC–ARM/Amer1-A1 | APC–ARM/Amer1-A2 | APC–ARM/Amer1-A4 | |
|---|---|---|---|
|
Data collection | |||
| Space group | P212121 | P1 | P212121 |
| Wavelength (Å) | 0.97935 | 0.97935 | 0.97935 |
| Unit-cell parameters: a, b, c (Å); α, β, γ (°) | 53.2, 68.2, 93.4; 90, 90, 90 | 60.6, 168.9, 120.3; 60.3, 90.1, 90.1 | 49.4, 71.2, 91.7; 90, 90, 90 |
| Number of molecules/asymmetric unit | 1 | 6 | 1 |
| Resolution range (Å) | 50–1.90 (1.97–1.90) | 50–2.10 (2.18–2.10) | 50–1.70 (1.76–1.70) |
| Completeness (%) | 99.9 (99.9) | 98.3 (97.3) | 99.6 (99.4) |
| Redundancy | 13.4 (13.6) | 3.9 (3.9) | 14.5 (14.8) |
| Total observations | 366,645 | 1,321,122 | 526,511 |
| Unique reflections | 27,310 | 335,892 | 36,291 |
| Rmerge (%) | 9.7 (36.6) | 10.3 (53.8) | 7.7 (40.1) |
| I/σI | 22.8 (9.1) | 13.4 (3.0) | 30.4 (7.6) |
| CC1/2 | 0.858 | 0.978 | |
|
Refinement | |||
| Rwork (%) | 18.06 | 19.34 | 19.67 |
| Rfree (%) | 22.13 | 21.27 | 23.98 |
| Overall B factor | 22.31 | 26.87 | 25.43 |
| RMSD bond lengths (Å) | 0.008 | 0.008 | 0.012 |
| RMSD bond angles (°) | 1.010 | 0.986 | 1.515 |
| Ramanchandran plot (favored, allowed, disallowed, % ) | 99.4, 0.6, 0 | 99.1, 0.9, 0 | 99.1, 0.9, 0 |
| Final model (number of protein/water atoms) | 2 662/271 | 16 469/2 515 | 2 734/175 |
Rmerge=ΣhΣi |Ih,i−Ih|/ΣhΣi Ih,i for the intensity (I) of observation i of reflection h. R factor=Σ||Fobs|−|Fcalc||/Σ|Fobs|, where Fobs and Fcalc are the observed and calculated structure factors, respectively. Rfree=R factor calculated using 5% of the reflection data chosen randomly and omitted from the start of refinement. RMSD, root-mean-square deviations from ideal geometry. Data for the highest resolution shell are shown in parentheses.