Table 1

Data collection and refinement statistics for DprE1 structures. One crystal was used for each structure. Values in parentheses are for the highest-resolution shell.

NativeBTZ043 complex
Data collection
Space groupP3221P212121
Cell dimensions
  a, b, c (Å)64.1, 64.1, 191.239.92, 64.31, 202.84
  α, β, γ (°)90.00, 90.00, 120.0090.00, 90.00, 90.00
Resolution (Å)60.00–2.1050.00–2.62
Rmeas5.7 (46.6)13.8 (68.3)
II14.7 (3.0)11.6 (2.5)
Completeness (%)99.9 (99.9)98.60 (91.3)
Redundancy4.9 (4.6)4.80 (4.3)
Refinement
Resolution (Å)60.00–2.1050.00–2.62
No. of reflections26,10615,505
Rwork/Rfree0.20/0.270.20/0.24
No. of atoms
  Protein3,2293,229
  Ligand/ion5387
  Water9588
B-factors
  Protein45.435.7
  Ligand/ion32.734.2
  Water43.629.9
RMSDs
  Bond lengths (Å)0.0150.006
  Bond angles (°)2.0311.108