TABLE 1.
Crystallographic data and refinement statistics
Parentheses indicate statistics for the high-resolution data bin for x-ray data.
| N. clavipes MaSp1A NTD | |
|---|---|
| Crystallographic data | |
| Source | APS 22 ID |
| Wavelength (Å) | 1.00 |
| Resolution limits (Å) | 58.5–2.02 (2.07–2.02) |
| Space group | P3121 |
| Unit cell (Å) a, b, c | 67.5, 67.5, 90.4 |
| Unit cell (°) α, β, γ | 90, 90, 120 |
| No. of observations | 17,4181 (12,661) |
| No. of reflections | 16,120 (1145) |
| Completeness (%) | 98.23 (94.32) |
| Mean I/σI | 21.73 (5.84) |
| Rmerge on Ia | 0.081 (0.60) |
| CC½b | 99.9 (93.5) |
| Refinement statistics | |
| Resolution Limits (Å) | 35.74–2.02 (2.09–2.02) |
| No. of reflections (work/free) | 15,808/1561 |
| Completeness (%) | 98.22 (94.6) |
| Cutoff Criteria I/σI | 0 |
| Protein/water atoms | 1844/120 |
| Rcrystc | 0.164 (0.169) |
| Rfree (10% of data) | 0.205 (0.233) |
| Bonds (Å)/Angles (°) | 0.004/0.724 |
| B-factors: protein/water (Å2) | 36.7/40.5 |
| Ramachandran plot statistics (%) | |
| Preferred regions | 100 |
| Outlier regions | 0 |
| MolProbity score | 0.77–100th percentile (n = 12,151, 2.02 Å ± 0.25Å) |
| PDB ID | 5IZ2 |
a Rmerge = Σhkl Σi|I(hkl)i − 〈I(hkl)〉|/ΣhklΣi 〈I(hkl)i〉.
b CC½, correlation coefficient.
c Rcryst = Σhkl |Fo(hkl) − Fc(hkl)|/Σhkl |Fo(hkl)|, where Fo and Fc are observed and calculated structure factors, respectively.