Table 1.
Data collection, phasing and refinement statistics
| BCAR3 Native | NSP3–p130Cas Native |
NSP3–p130Cas SeMet |
NSP3–p130Cas Thiomerosal |
|
|---|---|---|---|---|
| Data collection | ||||
| Space group | P212121 | I41 | I41 | I41 |
| Cell dimensions | ||||
| a, b, c (Å) | 50.23, 151.89, 196.50 | 171.88, 171.88, 78.27 | 172.04, 172.04, 79.16 | 171.72, 171.72, 77.76 |
| α, β, γ (°) | ||||
| Peak | Peak | |||
| Wavelength | 1.5418 | 1.075 | 0.9792 | 1.000 |
| Resolution (Å) | 19.85-2.4 | 29.5-2.5 | 29.6-2.9 | 50.0-2.6 |
| Rmerge | 0.096 (0.532) | 0.071 (0.844) | 0.056 (0.697) | 0.069 (0.552) |
| I / σI | 13.7 (3.0) | 22.7 (3.7) | 18.4 (2.3) | 35.2 (3.6) |
| Completeness (%) | 98.7 (96.3) | 99.8 (100.0) | 99.5 (98.0) | 97.1 (83.1) |
| Redundancy | 5.2 (4.6) | 14.9 (14.9) | 6.2 (6.1) | 14.7 (12.0) |
| Refinement | ||||
| Resolution (Å) | 19.75–2.4 | 29.5–2.5 | ||
| No. reflections | 56,380 | 37,296 | ||
| Rwork / Rfree | 17.4/24.4 | 19.6/26.6 | ||
| No. atoms | ||||
| Protein | 9,883 | 6,532 | ||
| Ligand/ion | 41 | 7 | ||
| Water | 373 | 59 | ||
| B-factors | ||||
| Protein | 42.4 | 100.4 (complex 1 72.9, complex 2 130.0) | ||
| Ligand/ion | 53.7 | 116 | ||
| Water | 37.5 | 69.6 | ||
| R.m.s deviations | ||||
| Bond lengths (Å) | 0.008 | 0.008 | ||
| Bond angles (°) | 1.053 | 1.064 | ||
*
Values in parentheses are for highest-resolution shell.