TABLE 2.
Lip(567–587)·DID | |
---|---|
Data collection | |
Space group | C121 |
Cell dimensions | |
α, β, χ (Å) | 121.09, 49.38, 106.37 |
a, b, g (degrees) | 90.0, 97.86, 90.0 |
Resolution (Å) | 32.30–1.65 (1.74–1.65) |
Rsym or Rmerge | 0.066 (0.730) |
I/σI | 9.4 (1.6) |
Completeness (%) | 99.7 (99.9) |
Redundancy | 3.1 (3.2) |
Refinement | |
Resolution (Å) | 32.32 (1.65) |
No. of reflections | 71,251 |
Rwork/Rfree | 17.55/ 21.01 |
No. of atoms | |
Protein | 3926 |
Ligand/ion | 16 |
Water | 394 |
B factors | |
Protein | 26.56 |
Ligand/ion | |
Ni | 22.98 |
Tris | 31.94 |
Water | 35.62 |
Root mean square deviations | |
Bond lengths (Å) | 0.022 |
Bond angles (degrees) | 2.007 |
Geometry | |
Poor rotamers | 0 |
Ramachandran | |
Outliers (%) | 0 |
Favored (%) | 99.38 (480/483 aa) |
Allowed (%) | 100 (483/283 aa) |
Cβ deviations >0.25Å | 0 |
Clashscorea | 2.39 |
a Clashscore is the number of serious steric overlaps (>0.4 Å) per 1000 atoms.