Table 2.
IBDV VP1 data collection and refinement statistics
| Data set | Native | EMTS | K2PtCl4 |
|---|---|---|---|
| Data collection | |||
| Unit cell dimensions, Å of space group P6122 Resolution, Å | a = b = 122.1 | a = b = 122.1 | a = b = 121.9 |
| c = 359.0 | c = 358.4 | c = 358.3 | |
| 30–2.5 | 30–2.5 | 30–2.5 | |
| No. of reflections* | 584,198 (55,871) | 863,414 (55,794) | 1,325,449 (55,717) |
| Completeness, %† | 96.4 (72.7) | 97.0 (77.1) | 99.6 (98.4) |
| Rmerge, %† | 6.5 (33.8) | 8.6 (50.1) | 7.8 (39.0) |
| Riso, %++ (15.0–3.0Å) | - | 18.8 (24.0) | 17.1 (20.0) |
| Rano, %† | - | 4.6 (23.3) | 4.2 (19.4) |
| Rcullis† (centric/acentric) | - | 0.85/0.93 (MIR) | 0.89/0.95 (MIR) |
| Phasing power‡ (centric/acentric) | - | 1.12/0.92 (MIR) | 0.95/0.87 (MIR) |
| Figure of merit | - | 0.4509 (MIR-AS) | |
| Refinement statistics | |||
| Resolution range, Å | 30–2.5 | ||
| Rwork, % | 21.6 | ||
| Rfree, % | 25.4 | ||
| RMS of bond lengths and angles | 0.006 Å, 1.3° |
*Numbers in parenthesis are the number of unique reflections.
†Numbers in parenthesis are for the highest resolution bins.
‡Phasing power = rms(FH/E), where E is the lack of closure error.