Table 1.
Data collection | AuCl3-DMP12 | Native-DMP12 |
---|---|---|
Wavelength (Å) | 1.02243 (high remote) | 1.00000 |
Space group | I4 | I4 |
Unit cell a, b, c (Å) | 116.5, 116.5, 54.9 | 112.7, 112.7, 57.3 |
Resolution (Å) | 30–2.9 (3.0–2.9) | 50–1.85 (1.92–1.85) |
Unique reflections | 8110 (792) | 30 304 (3012) |
Redundancy | 4.8 (3.8) | 5.4 (5.5) |
Completeness (%) | 97.5 (95.1) | 97.0 (97.6) |
I/σ(I) | 21.5 (3.4) | 32.7 (2.7) |
Rmerge (%) | 5.9 (42.4) | 4.7 (49.6) |
Refinement | ||
Rwork (%) | 18.6 | |
Rfree (%) | 21.8 | |
Bond RMSD (Å) | 0.018 | |
Angle RMSD (°) | 1.7 | |
Mean B value/no of atom | 30.1/2235 | |
Ramachandran plot (%) | ||
Most favored (%) | 98.67 | |
Allowed (%) | 1.33 |