Table 1.
Statistics for X-ray data collection and refinement.
| OvTIM_wild-type | OvTIM_ΔSAD | OvTIM_AAA | OvTIM_N115A_ΔSAD | |
|---|---|---|---|---|
| Data collection | ||||
| X-ray source | PAL BL5C | Spring-8 BL44XU | PAL BL11C | PAL BL11C |
| Wavelength (Å) | 1.00001 | 0.90000 | 0.97942 | 0.97942 |
| Space group | C2221 | P21 | P212121 | P21 |
| Unit-cell parameters | ||||
| a, b, c (Å) | 96.53 206.62 97.47 | 73.74 91.92 75.78 | 68.84 90.37 102.27 | 74.04 92.56 76.08 |
| α, β, γ (°) | 90 90 90 | 90 109.128 90 | 90 90 90 | 90 109.39 90 |
| Resolution (Å) | 50.00–1.75 (1.81–1.75) | 50.00–1.75 (1.85–1.75) | 50.00–1.58 (1.61–1.58) | 50.00–1.80 (1.83–1.80) |
| Rmerge (%) | 10.5 (11.0) | 7.4 (42.5) | 16.9 (47.3) | 9.1 (27.3) |
| <I/σ(I)> | 64.05 (21.1) | 14.81 (3.26) | 15.15 (2.04) | 26.38 (5.03) |
| Completeness (%) | 98.8 (93.3) | 99.7 (99.2) | 98.7 (95.3) | 97.2 (95.1) |
| Average multiplicity | 5.6 (3.1) | 4.24 (4.19) | 7.9 (4.5) | 5.3 (4.0) |
| Observed reflections | 541,897 (28061) | 410,026 (64976) | 654,169 (17640) | 464,383 (17084) |
| Unique reflections | 96,825 (9052) | 96,733 (15516) | 82,985 (3920) | 87,968 (4271) |
| Refinement | ||||
| Rwork/Rfree (%) | 0.1640/0.2004 | 0.1599/0.1904 | 0.1706/0.1950 | 0.1466/0.1810 |
| Average B factor (Å2) | 21.192 | 19.162 | 18.469 | 21.271 |
| R.m.s. deviations | ||||
| Bond lengths (Å) | 0.007 | 0.006 | 0.007 | 0.009 |
| Bond angles (°) | 0.929 | 0.975 | 0.937 | 1.104 |
| Ramachandran plot (MolProbity±) | ||||
| Favored (%) | 97.41 | 97.18 | 98.17 | 97.60 |
| Allowed (%) | 2.59 | 2.82 | 1.83 | 2.40 |
| Outliers (%) | 0 | 0 | 0 | 0 |
| PDB code | 5ZFX | 5ZG4 | 5ZG5 | 5ZGA |