Table 2.
Crystallographic data for human MCM in the presence of cob(II)alamin and ADP
| MCM•OH2Cbl | MCM•Cob(II)•ADP | |
|---|---|---|
| Beamline |
Advanced Photon Source (APS), LS-CAT |
Advanced Photon Source (APS), LS-CAT |
| Wavelength (Å) | 1.127 | 1.127 |
| Temperature (K) | 100 | 100 |
| Space group | C 2 2 21 | C 2 2 21 |
| Cell dimension | ||
| α, β, γ (º) | 90, 90, 90 | 90, 90, 90 |
| a, b, c (Å) | 59.3, 136.1,196 | 61.0, 129.4, 188.4 |
| Resolution (Å) |
41.8-1.9 (1.94-1.9) |
47.1-2.2 (2.27-2.2) |
| Rmerge (%) | 6.6 (72) | 6.1(63) |
| Rmeas (%) | 7.4(81) | 6.9(68) |
| Rpim (%) | 2.5 (33) | 2.2 (23) |
| <I/σ> | 16.7 (2.2) | 15.8(2.7) |
| CC (½) | 1.0 (0.66) | 0.99(0.97) |
| Completeness (%) | 98.4 (82.5) | 99.2 (95.3) |
| Multiplicity | 8.3 (4.6) | 9.0 (8.0) |
| No. of reflections | 509584(14988) | 343282(24826) |
| No. of unique reflections | 61448(3258) | 37982(3114) |
|
Overall B (Å2) (Wilson plot) |
24 | 51 |
| Resolution range | 39.7-1.9 | 47.1-2.2 |
| Number of reflections (work/test) | 61384/3126 | 37922/1902 |
| Rwork /Rfree (%) | 17.5/20.9 | 19.5/22.5 |
| No. of atoms | ||
| Protein | 5315 | 5433 |
| Water | 246 | 121 |
| Ligand: B12 | 91 | 91 |
| ADP | NA | 27 |
| B-factors(Å2) | ||
| Protein | 35.3 | 66.3 |
| Ligand: B12 | 34.2 | 48.1 |
| ADP | NA | 56.8 |
| Water | 36.46 | 54.1 |
| rmsd deviations | ||
| Bond lengths (Å) | 0.007 | 0.003 |
| Bond angles (º) | 0.822 | 0.556 |
| Ramachandran plot (%) | ||
| Favored, allowed, outliers | 98.2, 1.8, 0 | 97.9, 2.1, 0 |
| MolProbity score (percentile) | 0.99 (100) | 1.1 (100) |
| PDB code | 8DYL | 8DYJ |