Table 1 Data collection and structure refinement statistics
Data collection | |
|---|---|
   Unit cell parameters |    a = 119.97 Å, b = 119.97 Å, c = 118.10 Å |
|  |    α = 90°, β = 90°, γ = 120° |
   Space group |    P3121 |
   λ (Å) |    1.5418 |
   Mosaicity |    0.48 |
   Observations |    475265 |
   Unique reflections |    66748 |
   R-mergea(%) |    8.3 (68.2) |
   Completeness (%) |    99.6 (95.4) |
   <I/σ> |    21.3 (1.7) |
Refinement statistics | |
   Resolution (Å) |    23.03 - 2.00 (2.05 - 2.00) |
   Reflections |    63336 (4412) |
   Total atoms |    6161 |
   R-factorb (%) |    16.8 (32.2) |
   Rfree (%) |    20.0 (35.5) |
   Average B-factors (Å2) |  |
Wilson B-factor |    33.2 |
All atoms |    42.7 |
Main chain atoms |    41.8 |
Side chain atoms and waters |    43.6 |
Waters |    44.5 |
   R.m.s. deviations |  |
Bond lengths (Å) |    0.015 |
Bond angles (deg) |    1.45 |
   No. of residues |    734, 100% |
   No. of protein atoms |    5615 |
   No. of PLP atoms |    30 |
   No. of benzoic acid atoms No. of water molecules |    9 507 |
Residues in the Ramachandran plot | Â |
   Most favored regions |    588, 92.7% |
   Additionally allowed regions |    44, 6.9% |
   Generously allowed regions |    2, 0.3% |
   Disallowed regions |    0, 0% |