Table 1. Data-collection, refinement and model statistics.
Values in parentheses are for the outer shell.
| Structure | Human Gcn5 bound to propionyl-CoA | Human Gcn5 bound to butyryl-CoA |
|---|---|---|
| PDB code | 5h84 | 5h86 |
| Diffraction source | Rigaku FR-E SuperBright | Rigaku FR-E SuperBright |
| Wavelength (Å) | 1.54 | 1.54 |
| Temperature (K) | 293 | 293 |
| Detector | Rigaku Saturn 944+ | Rigaku Saturn 944+ |
| Space group | P61 | P61 |
| a, b, c (Å) | 38.09, 38.09, 187.06 | 38.25, 38.25, 186.97 |
| α, β, γ (°) | 90.0, 90.0, 120.0 | 90.0, 90.0, 120.0 |
| Resolution range (Å) | 29.17–2.00 (2.07–2.00) | 24.81–2.08 (2.15–2.08) |
| Total No. of reflections | 51218 (3583) | 58587 (2201) |
| No. of unique reflections | 10102 (915) | 9086 (819) |
| Completeness (%) | 97.98 (92.71) | 98.06 (87.88) |
| Multiplicity | 5.1 (3.9) | 6.4 (2.7) |
| 〈I/σ(I)〉 | 13.91 (5.68) | 16.86 (5.39) |
| R meas | 0.09651 | 0.08321 |
| Overall B factor from Wilson plot (Å2) | 18.80 | 19.72 |
| Final R cryst (%) | 17.6 | 16.4 |
| Final R free (%) | 20.2 | 20.7 |
| CC1/2 | 0.996 (0.898) | 0.997 (0.942) |
| CC* | 0.999 (0.973) | 0.999 (0.985) |
| No. of non-H atoms | ||
| Total | 1507 | 1485 |
| Protein | 1334 | 1340 |
| Ligand | 68 | 57 |
| Water | 105 | 88 |
| R.m.s. deviations | ||
| Bonds (Å) | 1.22 | 1.25 |
| Angles (°) | 0.013 | 0.007 |
| Average B factors (Å2) | ||
| Protein | 19.30 | 19.70 |
| Ligand | 24.30 | 20.70 |
| Water | 29.60 | 28.60 |