Table 1.
MtmOIV data collection and refinement summary
| Data Collection and Refinement Statistics for MtmOIV | |
|---|---|
| Native | |
| Space group | C2 |
| Mol/ASU | 3 |
| λ (Å) | 1.0 |
| Matthew’s coefficient | 3.91 |
| Solvent content (%) | 68.34 |
| a (Å) | 145.24 |
| b (Å) | 114.48 |
| c (Å) | 138.61 |
| α (°) | 90.00 |
| β (°) | 103.03 |
| γ (°) | 90.00 |
| Resolution (Å) * | 2.9 - 30 (2.9 - 3.0) |
| Completeness (%)* | 96.3 (91.7) |
| Redundancy* | 3.5 (2.5) |
| Rsym *† | 6.8 (46.1) |
| I / σ * | 22.4 (2.1) |
| R§/Rfree¶ | 0.24/0.29 |
| # of unique reflections | 47,403 |
| Wilson B (Å2) | 79.08 |
| Average B-factors (Å2) | 92.3 |
| Bond lengths (Å) | 0.005 |
| Bond angles (°) | 0.908 |
| # water molecules | 6 |
| Ramachandran most favored (%) | 78.0 |
| Ramachandran additionally allowed (%) | 17.3 |
| Ramachandran generously allowed (%) | 3.0 |
| Ramachandran disallowed (%) | 1.7 |
| PDB ID code | 3FMW |
†
Rsym = Σhkl,j (|Ihkl-<Ihkl>|) / Σhkl,j Ihkl, where <Ihkl> is the average intensity for a set of j symmetry related reflections and <Ihkl> is the value of the intensity for a single reflection within a set of symmetry-related reflections.
§
R factor = Σhkl(||Fo| - |Fc||)/Σhkl|Fo| where Fo is the observed structure factor amplitude and Fc is the calculated structure factor amplitude.
¶
Rfree = Σhkl,T(||Fo| - |Fc||)/Σhkl,T|Fo|, where a test set, T (5% of the data), is omitted from the refinement.
*
indicates statistics in last resolution shell shown in parenthesis.