Table 1. Data collection and refinement statistics.
|
OcNOD2 ΔCARDΔloop (form 1) |
OcNOD2 ΔCARDΔloop(form 2) | OcNOD2 ΔCARDSER | ||||
|---|---|---|---|---|---|---|
| Native | KAu(CN)2 | K2PtCl4 | SeMet | |||
| Data collection | ||||||
| X-ray source | SPring-8 BL41XU | SPring-8 BL32XU | SPring-8 BL32XU | SPring-8 BL32XU | SPring-8 BL32XU | SPring-8 BL32XU |
| Space group | P212121 | P212121 | P212121 | P212121 | P212121 | P212121 |
| Cell dimensions | ||||||
| a, b, c (Å) | 77.8, 106.2, 185.4 | 77.2, 108.7, 186.1 | 78.1, 107.7, 185.4 | 77.8, 107.2, 185.7 | 112.2, 122.9, 177.6 | 77.9, 107.8, 185.3 |
| Resolution (Å) | 2.3 (2.30–2.34)* | 2.5 (2.50–2.54) | 2.9 (2.90–2.95) | 2.69 (2.69–2.74) | 3.3 (3.3–3.36) | 3.1 (3.1–3.15) |
| Rmerge (%) | 5.5 (49.3) | 17.5 (86.7) | 11.6 (91.1) | 0.141 (0.752) | 16.4 (71.2) | 11.6 (63.2) |
| I/σI | 29.7 (2.0) | 5.4 (1.2) | 23.1 (1.9) | 20.4 (1.3) | 8.4 (1.6) | 12.7 (1.9) |
| Completeness (%) | 92.6 (77.0) | 97.2 (81.7) | 99.8 (97.0) | 85.3 (11.7) | 100.0 (100.0) | 98.8 (96.2) |
| Redundancy | 6.7 (5.9) | 6.7 (5.4) | 7.3 (6.9) | 9.8 (4.7) | 6.1 (6.2) | 4.1 (4.0) |
| Refinement | ||||||
| Resolution (Å) | 92.7–2.3 | — | — | — | 94.8–3.3 | 93.2–3.1 |
| No. reflections | 57,509 | — | — | — | 35,238 | 27,203 |
| Rwork/Rfree (%) | 20.2/23.6 | — | — | — | 19.3/23.7 | 19.9/25.0 |
| No.atoms | ||||||
| Protein | 5,833 | — | — | — | 11,987 | 5,792 |
| ADP | 27 | — | — | — | 54 | 27 |
| Oher | 47 | — | — | — | 5 | |
| B-factors (Å2) | ||||||
| Protein | 77.8 | — | — | — | 80.1 | 69.7 |
| ADP | 55.5 | — | — | — | 50.8 | 43.9 |
| Other | 61.6 | — | — | — | 52.8 | |
| R.m.s.d | ||||||
| Bond length (Å) | 0.017 | — | — | — | 0.007 | 0.009 |
| Bond angles (°) | 1.93 | — | — | — | 1.28 | 0.981 |
*Highest-resolution shell is shown in parenthesis. X-ray data were collected from single crystals.