TABLE 2.
Data collection, phasing, and refinement statistics
| Datasets | ArsC |
||
|---|---|---|---|
| Wild type | G284W mutant | SeMeta | |
| Data collection statistics | |||
| Beamline | PF BL-5A | PF AR-NW12A | PF BL-5A |
| Wavelength (Å) | 1.00000 | 1.00000 | 0.97915 |
| Space group | P21 | P21 | P21 |
| Unit-cell parameters | |||
| a (Å) | 102.32 | 102.89 | 102.53 |
| b (Å) | 143.39 | 142.76 | 143.55 |
| c (Å) | 129.62 | 129.77 | 129.92 |
| β (degree) | 110.33 | 110.45 | 110.20 |
| Resolution (Å) | 50.00-1.76 | 50.00-1.99 | 50.00-2.53 |
| (outer shell) | (1.82-1.76) | (2.02-1.99) | (2.62-2.53) |
| Unique reflections | 345,492 (37,894) | 244,208 (15,807) | 115,095 (9,308) |
| Redundancy | 3.8 (2.7) | 5.4 (4.8) | 7.4 (7.2) |
| Completeness (%) | 97.2 (80.3) | 96.9 (61.6) | 99.3 (96.8) |
| Rmerge | 0.120 (0.546) | 0.140 (0.821) | 0.086 (0.114) |
| Mean 〈I/σ(I)〉 | 21.3 (2.2) | 19.9 (1.9) | 39.4 (22.5) |
| Refinement statistics | |||
| Rfac (%) | 18.3 | 20.5 | |
| Rfree (%) | 23.0 | 27.3 | |
| No. of protein atoms | 24,691 | 24,661 | |
| No. of waters | 2,676 | 2,369 | |
| No. of sodium ions | 8 | 8 | |
| r.m.s.d. | |||
| Bond lengths (Å) | 0.027 | 0.023 | |
| Bond angles (ο) | 2.110 | 1.872 | |
| Ramachandran plot | |||
| Favored region (%) | 96.6 | 96.1 | |
| Allowed region (%) | 3.3 | 3.5 | |
| Outer region (%) | 0.1 | 0.4 | |
a ArsC selenomethionine (SeMet) derivative data were used only for initial phase determination.