Table 4. X-Ray data collection and refinement statistic.
| A3/bA3–2 | NCS-3.24/bNCS-16 | |
| Data statistics | ||
| Resolution (Å) | 30–1.9 (1.95–1.9) | 50–2.6 (2.76–2.6) |
| Space group | P43212 | P21212 |
| Cell parameters | a = b = 87.7Å; c = 78Å | a = 118.2; b = 59.2Å; c = 65.5Å |
| Total number of reflections | 135,887 | 55,290 |
| Total number of unique reflections | 24,498 | 14,080 |
| Rsym (%) a | 4.8 (56.6) | 5.7 (55) |
| Completeness (%) | 99.1 (98.9) | 95.8 (96.3) |
| I/σ/I) | 17.6 (2.) | 15.7 (2.6) |
| Redundancy | 5.5 | 3.9 |
| Refinement | ||
| Resolution (Å) | 30–1.9 | 34–2.6 |
| R/Rfree (%) b | 19.4/22.4 | 22.4/26.3 |
| R.m.s.d. bonds (Å) | 0.010 | 0.010 |
| R.m.s.d. angles (°) | 1.02 | 1.12 |
| Ramachandran plot | ||
| Most favoured (%) | 97.4 | 95.2 |
| Allowed (%) | 2.6 | 4.8 |
| PDB code | 4JW2 | 4JW3 |
Values in parentheses are for highest resolution shell.
a
Rsym = yh∑i|Ihi – <Ih>|/-h∑iIhi, were Ihi is the ith observation of the reflection h, while <Ih> is the mean intensity of reflection h.
b
Rfactor = ctorFo| – |Fc||/|Fo|. Rfree was calculated with a small fraction (5%) of randomly selected reflexions.