Table 2. Data Collection and Refinement Statistics for the Reduced-RebC Structure.
| Data Collection | |
| beamline | SSRL, 9-2 |
| wavelength (Å) | 0.9797 |
| space group | P21 |
| unit cell | |
| a, b, c (Å) | 63.3, 78.2, 123.1 |
| β (deg) | 98.7 |
| resolution (Å)a | 40.0−2.97 (3.08−2.97) |
| completeness (%)a | 90.4 (50.7) |
| I/σIa | 9.9 (3.0) |
| redundancya | 4.1 (3.1) |
| unique reflections | 22485 (1255) |
| Rsyma,b | 0.149 (0.270) |
| Refinement | |
| resolution range (Å) | 40.0−2.97 |
| Rcryst (%)c | 22.5 |
| Rfree (%)c | 27.6 |
| no. of non-hydrogen atoms | |
| protein | 7913 |
| FADH− | 106 |
| water | 65 |
| Na+ | 1 |
| average B-factors (Å2) | |
| protein | 46.7 |
| FADH− | 38.6 |
| water | 23.4 |
| Na+ | 23.6 |
| rmsdd bond length (Å) | 0.008 |
| rmsdd bond angle (deg) | 1.34 |
| Ramachandran plot (% residues) | |
| most favored | 85.2 |
| additionally allowed | 14.1 |
| generously allowed | 0.5 |
| disallowed | 0.2 |
a
Values in parentheses indicate highest resolution bin.
b
Rsym = (∑i∑hkl|Ii(hkl) − ⟨I(hkl)⟩|)/∑hkl⟨I(hkl)⟩, where Ii(hkl) is the intensity of the ith measured reflection and ⟨I(hkl)⟩ is the mean intensity for the reflection with the Miller index (hkl).
c
Rcryst = (∑hkl||Fo(hkl)| − |Fc(hkl)||)/∑hkl|Fo(hkl)|; Rfree is calculated identically, using 5% of reflections omitted from refinement.
d
Root mean squared deviation.