Table 1.
Data collection and refinement statistics
The values in parentheses are for the highest-resolution shell. NA, not available.
|
SpCnp3CENP-C cupin domain |
DmCENP-C cupin domain |
||
|---|---|---|---|
| Cnp3 cupin (489–643) | SeMet CENP-C cupin (1244–1411) | Native CENP-C cupin (1190–1411) | |
| Data collection | |||
| Wavelength (Å) | 0.9786 | 0.9786 | 0.9786 |
| Space group | P41212 | P3121 | P212121 |
| Cell dimensions | |||
| a, b, c (Å) | 55.16, 55.16, 206.64 | 86.24, 86.24, 112.24 | 51.93, 61.72, 87.92 |
| α, β, γ (°) | 90, 90, 90 | 90, 90, 120 | 90, 90, 90 |
| Resolution | 34.44–2.52 (2.59–2.52) | 40.25–2.63 (2.70–2.63) | 30.86–1.81 (1.86–1.81) |
| Rmerge | 0.056 (0.578) | 0.257 (2.327) | 0.041 (0.469) |
| Rpim | 0.016 (0.156) | 0.056 (0.502) | 0.020 (0.257) |
| I/σI | 32.9 (5.0) | 11.8 (1.9) | 21.6 (2.8) |
| Completeness (%) | 99.6 (99.3) | 99.9 (100.0) | 99.6 (99.4) |
| Redundancy | 13.2 (14.5) | 21.8 (22.3) | 4.8 (4.2) |
| Refinement | |||
| Resolution (Å) | 33.07–2.52 | 30.86–1.81 | |
| No. reflections | 11,475 | 25,138 | |
| Rwork/Rfree | 0.217/0.251 | 0.196/0.232 | |
| No. atoms | |||
| Protein | 2246 | 2224 | |
| Ligand/ion | NA | NA | |
| Water | 5 | 128 | |
| B-factors | |||
| Protein (average B-factor) | 71.68 | 29.59 | |
| Ligand/ion | NA | NA | |
| Water | 62.60 | 28.27 | |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.008 | 0.007 | |
| Bond angles (°) | 1.248 | 0.902 | |
| Ramachandran plot (%) | |||
| Favored | 97.43 | 98.14 | |
| Allowed | 2.57 | 1.86 | |
| Outliers | 0.00 | 0.00 | |
| PDB code | 6O2D | 6O2K | |