Table 3 Crystallographic statistics for mycobacterial dehydrogenases.
From: Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors
SSGCID ID | MyavA.01326.q | MypaA.01326.b | MypaA.01326.d | MypaA.01326.g | MythA.01326.c |
|---|---|---|---|---|---|
Organism | M. avium | M. paratuberculosis | M. paratuberculosis | M. paratuberculosis | M. thermoresistible |
Data collection | |||||
 Source | ALS 5.0.1 | ALS 5.0.3 | ALS 5.0.3 | ALS 5.0.1 | Rigaku FR-E+ |
 Wavelength (Å) | 0.9774 | 0.97946 | 0.9765 | 0.9774 | 1.5418 |
Data reduction | |||||
 Space Group | P2221 | C2 | P1 | P21 | C2 |
 Unit Cell | a = 60.79 Å, b = 132.14 Å, c = 154.94 Å α = β = γ = 90° | a = 130.03 Å, b = 57.92 Å, c = 131.74 Å α = γ = 90°, β = 91.35° | a = 64.46 Å, b = 70.76 Å, c = 125.68 Å α = 97.01°, β = 93.92°, γ = 86.91° | a = 57.98 Å, b = 127.17 Å, c = 69.69 Å α = γ = 90°, β = 104.49° | a = 67.86 Å, b = 120.57 Å, c = 134.56 Å α = γ = 90°, β = 94.05° |
 Protein copies | 4 | 4 | 8 | 4 | 4 |
 Solvent content (%) | 51.8 | 41.7 | 51.0 | 42.4 | 38.0 |
Vm (Ã…3/Da) | 2.55 | 2.11 | 2.49 | 2.13 | 2.01 |
 Resolution (Å) | 50–2.15 (2.20–2.15) a | 50–1.85 (1.90–1.85) | 50–1.5 (1.54–1.50) | 50–2.05 (2.10–2.05) | 50–1.95 (2.00–1.95) |
 I/σ | 15.2 (3.2) | 14.2 (3.6) | 21.0 (4.1) | 10.5 (3.2) | 10.2 (2.9) |
 Completeness (%) | 99.6 (99.9) | 97.9 (97.0) | 94.8 (90.3) | 98.5 (97.3) | 98.9 (96.8) |
 Rmerge | 0.110 (0.536) | 0.093 (0.471) | 0.039 (0.304) | 0.130 (0.474) | 0.089 (0.316) |
 Multiplicity | 5.8 (5.8) | 4.7 (4.6) | 3.8 (3.5) | 4.2 | 3.6 (2.2) |
 Reflections | 68,679 | 82,274 | 333,445 | 60,295 | 77,636 |
Refinement | |||||
 R | 0.149 | 0.147 (0.200) | 0.141 (0.235) | 0.165 (0.243) | 0.179 (0.228) |
 Rfreeb | 0.190 | 0.195 (0.266) | 0.159 (0.262) | 0.212 (0.310) | 0.233 (0.292) |
 r.m.s.d. bonds (Å) | 0.006 | 0.015 | 0.016 | 0.012 | 0.017 |
 r.m.s.d. angles (°) | 0.834 | 1.484 | 1.711 | 1.495 | 1.536 |
 Wilson B-factors (Å2) | 22.0 | 21.4 | 21.2 | 21.6 | 20.9 |
 Mean B-factors (Å2) | 27.2 | 15.0 | 11.5 | 14.8 | 11.8 |
Validation | |||||
 Ramachandran Favored (%) | 96.4 | 98.2 | 97.3 | 97.4 | 97.0 |
 Ramachandran Allowed (%) | 100 | 100 | 100 | 100 | 100 |
 Molprobity Score | 1.24 (100th percentile) | 1.02 (100th percentile) | 0.95 (100th percentile) | 1.07 (100th percentile) | 1.35 (98th percentile) |
 Clash Score | 2.15 (99th percentile) | 2.36 (99th percentile) | 1.14 (99th percentile) | 1.91 (100th percentile) | 3.67 (99th percentile) |
 PDB ID | 5EJ2 | 3PGX | 3SX2 | 3TSC | 3OEC |
