Data collection and refinement statistics for the crystal structure of Gdx-Clo in complex with guanylurea
| Data collection . | . |
|---|---|
| Space group | P1 |
| Cell dimensions a, b, c, (Å) | 49.91, 74.37, 107.21 |
| α, β, γ (°) | 86.76, 90.01, 70.26 |
| Resolution (Å) | 107–2.185 |
| Ellipsoidal resolution limit (best/worst) | 2.185/3.665 |
| % Spherical data completeness | 39.0 (5.6) |
| % Ellipsoidal data completeness | 81.1 (69.8) |
| Rmerge | 0.600 (0.099) |
| Rmeas | 0.698 (0.122) |
| Mn I/σI | 18.1 (2.8) |
| Multiplicity | 3.3 (3.8) |
| Refinement | |
| Resolution (Å) | 35.66–2.18 |
| No. reflections | 27,820 |
| Rwork/Rfree | 28.0/30.9 |
| Ramachandran favored | 94.7 |
| Ramachandran outliers | 1.8 |
| Clashscore | 11.2 |
| R.m.s. deviations | |
| Bond lengths (A) | 0.002 |
| Bond angles (°) | 0.480 |
| Coordinates in PDB | 8TGY |
| Data collection . | . |
|---|---|
| Space group | P1 |
| Cell dimensions a, b, c, (Å) | 49.91, 74.37, 107.21 |
| α, β, γ (°) | 86.76, 90.01, 70.26 |
| Resolution (Å) | 107–2.185 |
| Ellipsoidal resolution limit (best/worst) | 2.185/3.665 |
| % Spherical data completeness | 39.0 (5.6) |
| % Ellipsoidal data completeness | 81.1 (69.8) |
| Rmerge | 0.600 (0.099) |
| Rmeas | 0.698 (0.122) |
| Mn I/σI | 18.1 (2.8) |
| Multiplicity | 3.3 (3.8) |
| Refinement | |
| Resolution (Å) | 35.66–2.18 |
| No. reflections | 27,820 |
| Rwork/Rfree | 28.0/30.9 |
| Ramachandran favored | 94.7 |
| Ramachandran outliers | 1.8 |
| Clashscore | 11.2 |
| R.m.s. deviations | |
| Bond lengths (A) | 0.002 |
| Bond angles (°) | 0.480 |
| Coordinates in PDB | 8TGY |