TABLE 3.
Data processing and refinement statistics of R31Q hLTC4S in complex with GSH
r.m.s., root mean square; PDB, Protein Data Bank.
| Wavelength (Å) | 0.93340 |
| Space group | F23 |
| Cell dimensions | |
| a = b = c (Å) | 170 |
| α = β = γ | 90° |
| Resolution (Å) | 2.1 |
| Unique reflections | 31,117 |
| All reflections | 221,628 |
| Completeness (%)a | 99.1 (100) |
| Multiplicitya | 7.1 (7.5) |
| Rsym (%)a,b | 13.4 (40.6) |
| I/σa | 20.8 (4.1) |
| No. of protein atoms | 1189 |
| No. of waters | 61 |
| No. of ligands | 12 |
| R-factor | 18 |
| Rfree | 20.4 |
| Average B-factor | 35 |
| r.m.s. bond (Å) | 0.018 |
| r.m.s. angle | 1.77° |
| Ramachandran analysis | |
| Most favored regions | 97.3 |
| Allowed regions | 2.0 |
| Disallowed regions | 0.7 |
| PDB code | 3LEO |
a Values for the highest resolution shell are given in parentheses.
b Rsym = (ΣhklΣi|Ii(hlk) − 〈I(hkl)〉|)/ΣhklΣiIi(hkl) for n independent reflections and observations of a given reflection, 〈I(hkl)〉 is the average intensity of the i observation.