Table 1 Data collection and refinement statistics for CF3HBD–NAD+ complex
From: A synthetic microbial biosensor for high-throughput screening of lactam biocatalysts
CF3HBD–NAD+ | |
|---|---|
Data collection | |
Space group | P21 |
Cell dimensions | |
a, b, c (Å) | 62.5, 148.3, 62.4 |
α, β, γ (°) | 90, 101.5, 90 |
Resolution (Å)a | 50-2.29(2.33-2.29) |
Rsym (%) | 11.8(89.1) |
I/σI | 28.9(2.4) |
Rmeas (%) | 12.8(96.8) |
Rpim (%) | 4.9(37.2) |
Completeness (%) | 91.8(82.3) |
Redundancy | 6.8(6.0) |
Refinement | |
Resolution (Å) | 30.61-2.28 |
No. reflections | 46,375 |
Rwork/Rfree (%) | 19.69/26.94 |
No. of atoms | 7708 |
Protein | 7552 |
Ligand | 88 |
Water | 68 |
Average B-factors | 56.84 |
Wilson B-factor (A2) | 43.4 |
RMS deviations | |
Bond lengths (Å) | 0.008 |
Bond angles (°) | 1.072 |
Ramachandran plot | |
Favored (%) | 96.1 |
Allowed (%) | 3.6 |
Outliers (%) | 0.3 |
