Table 2 Data collection and refinement statistics
From: Determination of the native features of the exoglucanase Cel48S from Clostridium thermocellum
| Parameter | |
|---|---|
| Data collection | |
| Space group | P 21 21 2 |
|
a,b,c (Å) α,β,γ |
96.00, 101.07, 58.98 90.00, 90.00, 90.00 |
| Wavelength | 0.979 |
| Resolution (Å) | 101.07–1.43 (1.47–1.43)a |
| Unique reflections | 100,821 (5353) |
| Completeness (%) | 94.9 (69.2) |
| Redundancy | 7.3 (6.8) |
| Mean I/sigma (I) | 16.0 (2.3) |
| R bmerge | 0.069 (0.786) |
| Refinement | |
| R work /R free (%) | 16.01/19.30 |
| No. atoms | |
| Proteins | 5182 |
| Ligands | 40 |
| waters | 834 |
| B-factors | |
| Average B-factor | 21.00 |
| Proteins | 19.00 |
| Ligands | 49.50 |
| Solvent | 32.30 |
| r.m.s.d. | |
| Bond length (Å) | 0.017 |
| Bond angles | 1.601 |
| Ramachandran statistics | |
| Favored (%) | 98 |
| Outliers (%) | 0 |