Table 1 Data collection, processing, and refinement statistics
From: A revised biosynthetic pathway for the cofactor F420 in prokaryotes
SeMet-FbiDa | Apo-FbiDa (PDB 6BWG) | FbiD-PEPa (PDB 6BWH) | |
|---|---|---|---|
Data collection | |||
Space group | C2221 | C2221 | C2221 |
Cell dimensions | |||
a, b, c (Å) | 66.56, 110.79, 167.69 | 66.54, 109.05, 166.49 | 66.17, 110.44, 165.91 |
α, β, γ (°) | 90, 90, 90 | 90, 90, 90 | 90, 90, 90 |
Resolution (Å) | 47.17–2.33 (2.41–2.33) | 46.92–1.99 (2.04–1.99) | 46.84–2.18 (2.25–2.18) |
R merge | 0.13 (0.37) | 0.354 (2.71) | 0.213 (2.93) |
I /σI | 21.3 (8.1) | 8.8 (1.2) | 14.5 (1.0) |
CC 1/2 | 0.995 (0.97) | 0.994 (0.321) | 0.998 (0.376) |
Completeness (%) | 99.91 (99.3) | 99.85 (96.9) | 100.0 (99.7) |
Redundancy | 14.6 (14.2) | 14.8 (13.5) | 14.7 (13.2) |
Refinement | |||
Resolution (Å) | 83.25–1.99 | 82.95–2.18 | |
No. reflections | 621278 (38169) | 471504 (35875) | |
Rwork/Rfree | 19.1/22.8 | 22.8/26.2 | |
No. atoms | |||
Protein | 4969 | 4643 | |
Ligand/ion | – | 36 | |
Water | 544 | 180 | |
B-factors | |||
Protein | 11.98 | 24.12 | |
PEP (n = 3) | – | 48.78 | |
Mg2+ (n = 6) | – | 44.33 | |
Water | 33.18 | 48.46 | |
R.m.s. deviations | |||
Bond lengths (Å) | 0.011 | 0.01 | |
Bond angles (°) | 1.416 | 1.383 | |
