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 |