TABLE 3.
Data collection and refinement statistics using molecular replacement
| Parameter | Valuea
for: |
|
|---|---|---|
| GRL-003-15_WT (PDB no. 6MCS) | GRL-001-15_WT (PDB no. 6MCR) | |
| Data collection statistics | ||
| Space group | P 61 2 2 | P 61 2 2 |
| Cell dimensions | ||
| a, b, c (Å) | 62.51, 62.51, 82.94 | 62.78, 62.78, 82.12 |
| α, β, γ (°) | 90.00, 90.00, 120.00 | 90.00, 90.00, 120.00 |
| Resolution range (Å) | 32.9–21.52 (1.574–1.52) | 54.37–1.48 (1.533–1.48) |
| Rsym or Rmerge (%) | 0.1705 (1.492) | 0.09024 (2.661) |
| I/σI | 9.16 (1.02) | 16.71 (1.49) |
| Completeness (%) | 99.05 (98.19) | 99.79 (99.26) |
| Redundancy (%) | 17.7 (17.8) | 18.5 (18.9) |
| Refinement statistics | ||
| Resolution range (Å) | 32.92–1.52 | 54.37–1.48 |
| No. of reflections | 15,190 (1,466) | 16,513 (1,604) |
| Rwork/Rfree | 0.2063/0.2421 | 0.1782/0.1782 |
| No. of atoms | ||
| Total | 881 | 870 |
| Protein | 787 | 783 |
| Ligand/ion | 47 | 59 |
| Water | 47 | 28 |
| B factors | 28.2 | 28.88 |
| Protein | 27.66 | 28.98 |
| Ligand/ion | 31.98 | 24.39 |
| Water | 33.44 | 35.61 |
| Root mean square deviations | ||
| Bond length (Å) | 0.014 | 0.025 |
| Bond angle (°) | 1.86 | 2.11 |
a
Values for the highest-resolution shell are shown in parentheses.