Table 1.
Data processing, refinement and final model (3EVJ)
Crystal | ||
Space Group | P21 | |
Cell dimensions (Å) | a = 65.85 b = 87.05 c = 92.38 | |
(°) | β = 106.18 | |
Solvent content (%) | 46.1 | |
Data Processing Statistics | ||
Wavelength (Å) | 1.488 (SRS, beam line 14.1) | |
Resolution (Å) | 63.25-3.00 | 3.16-3.00 |
Total reflections | 62258 | 9162 |
Unique reflections | 20068 | 2905 |
Multiplicity | 3.1 | 3.2 |
<I/σ(I)> | 10.9 | 2.1 |
Completeness (%) | 99.2 | 99.4 |
Rmerge | 0.116 | 0.523 |
Model | ||
Number of atoms modeled: | ||
Protein | 6164 | |
Water | 45 | |
Carbohydrate | 183 | |
Pentasaccharide | 182 | |
Average B-factor (Å2) | 64.2 | |
Refinement statistics | 63.24-3.00Å | 3.19-3.00Å |
Reflections in working/free set | 19039/1016 | 3163/153 |
R-factor/R-free (%) | 23.1 / 28.9 | 32.9 / 35.8 |
r.m.s. deviation of bonds(Å)/angles (°) from ideality | 0.008 / 1.5 | |
Ramachandran plot; residues in most favored region (%) | 74.2 | |
additionally allowed region (%) | 23.8 | |
generously allowed region (%) | 2.0 | |
disallowed region (%) | 0 |