Data collection and structure refinement statistics
| Sample . | AIM-A1 Nd6 complex . |
|---|---|
| Data collection | |
| Space group | P 1 21 1 |
| Cell dimensions | |
| a, b, c (Å) | 38.8, 174.3, 197.3 |
| α, β, γ (°) | 90, 89.96, 90 |
| Resolution (Å)∗ | 65.8-3.05 (3.34-3.05) |
| Rmerge† | 0.709 (2.778) |
| Rpim† | 0.0.142 (0.573) |
| Total number unique | 35 681 (1 758) |
| Mean(I)/sd(I) | 5.4 (1.5) |
| Completeness (spherical) (%) | 71.5 (15.0) |
| Completeness (ellipsoidal) (%) | 89.9 (39.4) |
| Multiplicity | 26.0 (23.1) |
| CC1/2‡ | 0.984 (0.375) |
| Wavelength | 0.9795 |
| Refinement | |
| No. reflections | 34 292 |
| Rwork§,∗ | 0.234 |
| Rfree | 0.297 |
| Average B factor (Å2) | |
| AIM-A1 chains A/B/E/G/ | 85/89/74/75 |
| Nd6 chains C/D/F/H/ | 50/50/47/43 |
| 4 × A2D A/B/E/G/ | 127/108/101/90 |
| 2 × CPS chains C/F | 66/84 |
| Solvent (75) | 42 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.007 |
| Bond angles (°) | 1.604 |
| Ramachandran statistics‖ | |
| Favored (%) | 85.9 |
| Allowed (%) | 9.4 |
| Outliers (%) | 4.7 |
| Sample . | AIM-A1 Nd6 complex . |
|---|---|
| Data collection | |
| Space group | P 1 21 1 |
| Cell dimensions | |
| a, b, c (Å) | 38.8, 174.3, 197.3 |
| α, β, γ (°) | 90, 89.96, 90 |
| Resolution (Å)∗ | 65.8-3.05 (3.34-3.05) |
| Rmerge† | 0.709 (2.778) |
| Rpim† | 0.0.142 (0.573) |
| Total number unique | 35 681 (1 758) |
| Mean(I)/sd(I) | 5.4 (1.5) |
| Completeness (spherical) (%) | 71.5 (15.0) |
| Completeness (ellipsoidal) (%) | 89.9 (39.4) |
| Multiplicity | 26.0 (23.1) |
| CC1/2‡ | 0.984 (0.375) |
| Wavelength | 0.9795 |
| Refinement | |
| No. reflections | 34 292 |
| Rwork§,∗ | 0.234 |
| Rfree | 0.297 |
| Average B factor (Å2) | |
| AIM-A1 chains A/B/E/G/ | 85/89/74/75 |
| Nd6 chains C/D/F/H/ | 50/50/47/43 |
| 4 × A2D A/B/E/G/ | 127/108/101/90 |
| 2 × CPS chains C/F | 66/84 |
| Solvent (75) | 42 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.007 |
| Bond angles (°) | 1.604 |
| Ramachandran statistics‖ | |
| Favored (%) | 85.9 |
| Allowed (%) | 9.4 |
| Outliers (%) | 4.7 |
R.m.s, root mean square; sd, standard deviation.
Values in parentheses are for highest-resolution shell.
Rmerge = Sum(h) [Sum(j) [I(hj) − <Ih>]/Sum(hj) <Ih> where I is the observed intensity and <Ih> is the average intensity of multiple observations from symmetry-related reflections calculated.
CC1/2 = Pearson correlation coefficient.
Rwork = Sum(h) ||Fo|h − |Fc|h|/Sum(h)|Fo|h, where Fo and Fc are the observed and calculated structure factors, respectively. Rfree was computed as in Rwork, but only for (5%) randomly selected reflections, which were omitted in refinement, calculated using REFMAC.
Ramachandran statistics were calculated using Molprobity.