Table 3.
APK270 Selmet | APK270 native | |
---|---|---|
RCSB ID | 6EF6 | |
Data collectiona | ||
Wavelength (Å) | 0.97921 | 0.97949 |
Space group | C2 | C2 |
Cell dimensions | ||
a, b, c (Å) | 72.18, 70.19, 60.83 | 72.01, 70.05, 60.72 |
α, β, γ (°) | 90.00, 95.36, 90.000 | 90.00, 95.12, 90.00 |
Resolution (Å) | 50–1.60 (1.64–1.60 | 50–1.35 (1.39–1.35) |
Rsym | 0.061 (0.55) | 0.058 (0.52) |
I/σI | 16.7 (2.57) | 11.0 (2.04) |
Completeness (%) | 99.9 (99.9) | 99.6 (98.4) |
Redundancy | 3.8 (3.7) | 3.3 (2.8) |
Refinement | ||
Resolution (Å) | 50–1.35 (1.39–1.35) | |
No. reflections | 65,635 | |
Rwork/Rfree (%) | 14.9/16.8 | |
No. atoms | ||
Protein | 2638 | |
Ligand/ion | 21 | |
Water | 231 | |
B-factors | ||
Protein | 28.5 | |
Ligand/ion | 42.9 | |
Water | 34.5 | |
R.m.s. deviations | ||
Bond lengths (Å) | 0.011 | |
Bond angles (°) | 1.16 | |
Ramachandran plot | ||
Favored (%) | 96.3 | |
Allowed (%) | 99.7 |
a The dataset was collected from a single crystal. Values in parentheses are for the highest-resolution shell.