Table I.
Data collection statistics | |
---|---|
Space group | P21212 |
Cell dimension | |
a, b, c, (Å) | 137.53, 139.97, 111.95 |
α, β, γ (°) | 90.00, 90.00, 90.00 |
Resolution range (Å) [outer shell] | 50-2.3 [2.36-2.30] |
No. reflections | 96251 |
Rmerge (%) | 8.0 [62.0] |
Multiplicity | 5.0 [4.9] |
Average I/σI | 21.5 [2.4] |
Completeness (%) | 99.5 [99.8] |
Refinement statistics | |
No. atoms | 12721 |
Protein | 11632 |
Ligand (PC) | 108 |
Ligand (PE) | 102 |
Carbohydrate | 317 |
Waters | 506 |
Other ligands and ions | 56 |
R/Rfree | 0.201/0.248 |
Ramachandran plot (%) | |
Favored | 97.9 |
Allowed | 100 |
R.m.s. deviations | |
Bonds (Å) | 0.012 |
Angles (°) | 1.457 |
B-factors (Å2) | |
Protein | 43.1 |
Ligand PC | 59.8 |
Ligand PE | 59.0 |
Carbohydrate | 58.6 |
Waters | 21.2 |
Other ligands and ions | 53.2 |