Table 1 Data collection and refinement statistics
Data collection | Azurin T21R1 |
|---|---|
PDB-ID | 4BWW |
Space group | P1 |
Unit cell (Å, °) | 37.0, 53.7, 73.2, 74.4, 89.3, 83.4 |
Matthews coefficient (Å3 Da-1) | 2.41 |
Solvent content (%) | 49.0 |
Molecules per ASU | 4 |
Wavelength (nm) | 0.918409 |
Beamline | BL14.1, BESSYII |
Resolution range (Å) | 51.3-1.48 |
Total observations | 155295 |
Unique reflections | 82307 |
Completeness | 91.8 (90.9) |
Multiplicity | 1.9 (1.9) |
Rmerge | 0.07 (0.47) |
Rmeas | 0.11 (0.88) |
Rpim | 0.07 (0.60) |
I/σ(I) | 5.5 (1.1) |
Refinement | |
Resolution range (Å) | 48.1-1.48 |
R/Rfree (%) | 18.8/21.4 |
RMSD bonds (Å)/angles (°) | 0.007/1.143 |
Ramachandran plot, (% favoured/allowed/disallowed) | 98.4/1.6/0 |
MOLPROBITY score/clash score | 1.06/2.77 |