Table 1. Data collection and refinement statistics of drDDC.
| Crystal Data | |
| Space Group | P21212 |
| Unit Cell | |
| a (Å) | 105.8 |
| b (Å) | 108.6 |
| c (Å) | 86.3 |
| α = β = γ (°) | 90.0 |
| Data collection | |
| X-ray source | BNLa-X29 |
| Wavelength (Å) | 1.0809 |
| Resolution (Å) b | 1.75 (1.81–1.75) |
| Total number of reflections | 1508, 676 |
| Number of unique reflections | 100, 700 |
| R-merge b | 0.06 (0.56) |
| Redundancy b | 15.1 (11.8) |
| Completeness (%)b | 98.9 (97.8) |
| Refinement statistics | |
| R-work (%) | 19.7 |
| R-free (%) | 22.6 |
| RMS Bond lengths (Å) | 0.014 |
| RMS Bond angles (°) | 1.423 |
| No. of ligand or cofactor molecules | 2 LLP c |
| 1 GOLc | |
| No. of water molecules | 601 |
| Average B overall (Å2) | 30.0 |
| RMSD of B-factors for main chain residues (Å) | 0.904 |
| RMSD of B-factors for side chain residues (Å) | 2.444 |
| Statistics on Ramachandran plot (%) | |
| Most favoured regions | 91.6 |
| Additional allowed regions | 8.1 |
| Generously allowed regions | 0.3 |
a
Brookhaven National Laboratory.
b
The values in parentheses are for the highest resolution shell.
c
LLP, lysine-pyridoxal-5′-phosphate; GOL, glycerol.