Table 1.
Data collection and refinement statistics for GU10-060 HA2-47G HA
| Dataset | GU10-060 HA2-47G HA |
| Space group | R32 |
| Unit cell (Å) | a = b = 100.8, c = 760.5 |
| α = β = 90°, γ = 120° | |
| Resolution (Å)* | 50.0–3.18 (3.27–3.18) |
| X-ray source | Canadian Light Source 08ID-1 |
| Unique reflections | 24,997 |
| Redundancy* | 4.5 (3.8) |
| Average I/σ(I)* | 10.9 (2.0) |
| Completeness* | 97.6 (91.2) |
| Rsym*,† | 0.16 (0.79) |
| Rpim*,† | 0.09 (0.47) |
| Monomers in asymmetric unit | 2 |
| Vm (Å3/Da) | 3.4 |
| Reflections used in refinement | 23,738 |
| Refined residues | 978 |
| Refined waters | — |
| Rcryst‡ | 0.203 |
| Rfree§ | 0.258 |
| B-values (Å2) protein | 64.4 |
| Wilson B-value (Å2) | 53.7 |
| Ramachandran plot (%)¶ | 95.2, 0.5 |
| rmsd bond (Å) | 0.012 |
| rmsd angle (°) | 1.7 |
| PDB ID code | 4I78 |
*Values in parentheses denote outer-shell statistics.
†Rsym = ∑hkl∑i |Ihkl,i − <Ihkl>| /∑hkl∑i Ihkl,i and Rpim = ∑hkl[1/(N − 1)]1/2∑i |Ihkl,i − <Ihkl>| /∑hkl∑i Ihkl,i, where Ihkl,i is the scaled intensity of the ith measurement of reflection h, k, l, < Ihkl> is the average intensity for that reflection, and N is the redundancy.
‡Rcryst = ∑hkl |Fo − Fc|/∑hkl |Fo|, where Fo and Fc are the observed and calculated structure factors.
§Rfree was calculated as for Rcryst, but on 5% of data excluded before refinement.
¶The values are percentage of residues in the favored and outliers regions analyzed by MolProbity (29).