Table 1 Data collection and refinement statistics for YePEPT
From: Role of electrostatic interactions for ligand recognition and specificity of peptide transporters
Data collection | |
Beamline | X06SA, SLS |
Wavelength (Å) | 1.00 |
Space group | P212121 |
Unit cell parameters (Å, °) | a = 90.7, b = 101.0, c = 104.2, α = β = γ = 90 |
Resolution (Å) | 46.30–3.02 (3.18–3.02) |
Number of observed reflections | 126,940 (18,201) |
Number of unique reflections | 19,398 (2,737) |
R merge (%) | 5.6 (99.7) |
Completeness (%) | 99.8 (98.8) |
Multiplicity | 6.5 (6.6) |
I/σI | 20.0 (2.0) |
CC1/2 (%)a | 99.9 (76.1) |
Refinement | |
Resolution (Å) | 46.30–3.02 (3.10–3.02) |
Rwork/Rfree (%) | 25.71 (36.07)/29.40 (39.11) |
B factor (Å2) | 105.0 |
Number of atoms | 3,686 |
RMSD | |
Bond length (Å) | 0.005 |
Bond angle (°) | 0.889 |
Ramachandran plot (%) | |
Favored region | 97.5 |
Allowed region | 100 |
Disallowed region | 0 |