Table 1.
Primary crystallographic data for apo NISTmAb Fab structure (PDB:5k8a).
| Diffraction | |
| Space group | I222 |
| a, b, c (nm) | 14.916, 14.920, 19.503 |
| Resolution range (nm) | 3.000 – 0.200 (0.205 – 0.200) |
| Rmergea | 0.083 (0.817) |
| Resolution (nm) at which <I/σ(I)> = 2 | 0.213 |
| Completeness (%) | 99.7 (97.6) |
| Redundancy | 5.9 (4.5) |
| Refinement | |
| Nonhydrogen protein atoms | 13,436 |
| Water molecules | 372 |
| Rwork/Rfree | 0.166/0.239 |
| Overall Mean B-value (nm2) | 0.449 |
| Bond lengths rmsd from ideal (nm) | 0.0008 |
| Bond angles rmsd from ideal (degrees) | 1.35 |
| Residues refined | 1742 (4 independent copies of Fab) |
Data collection statistics for the highest resolution shell are given in parentheses.
a
Rmerge = Σ |I-<I>| / Σ I where <I> is the mean of symmetry-related reflection intensities.