Table 1 X-ray data collection, processing and refinement
From: Structure of a VHH isolated from a naïve phage display library
Parameter | VHH R419 (PDB Code 6DYX) |
|---|---|
Diffraction source | CLSi beamline 08ID-1 |
Wavelength (Å) | 0.98 |
Temperature (K) | 100 |
Space group | P6522 |
a, b, c (Å) | 58.28, 58.28, 155.36 |
α, β, γ (°) | 90, 90, 120 |
Resolution range (Å) | 36.145–1.500 (1.540–1.500) |
Total no. of reflections | 259,791 (16,945) |
No. of unique reflections | 25,681 (2333) |
Completeness (%) | 99.200 (91.500) |
Redundancy | 10.100 (7.100) |
〈I/σ(I)〉 | 10.700 (5.05) |
R r.i.m. | 0.218 (0.359) |
R p.i.m. | 0.067 |
Overall B factor from Wilson plot (Å2) | 19.660 |
Resolution range (Å) | 36.145–1.500 (1.5601–1.5000) |
Completeness (%) | 99.0 |
No. of reflections | 25,678 (2455) |
Final Rcryst | 0.176 (0.1854) |
Final Rfree | 0.190 (0.1977) |
No. of non-H atoms | |
Protein | 853 |
Ion | 14 |
Water | 141 |
Total | 1008 |
R.m.s. deviations | |
Bonds (Å) | 0.007 |
Angles (°) | 0.875 |
Average B factors (Å2) | |
Protein | 23.3 |
Ion | 49.2 |
Ligand | 0.0 |
Water | 40.1 |
Ramachandran plot | |
Most favored (%) | 100.00 |
Allowed (%) | 0 |