Table 1. X-ray Diffraction and Data Collection Statistics.
| beamline | APS (24-ID-C) |
|---|---|
| space group | C2221 |
| unit cell parameters (Å) | a = 86.79, b = 127.25, c = 150.30 |
| mols. in asu. | 2 |
| wavelength (Å) | 0.97910 |
| resolution (Å) | 150.0–2.85 (3.00–2.85) |
| observationsa | 145 243 (21 131) |
| unique reflectionsa | 19 818 (2832) |
| Rmerge(I)a | 0.177 (2.4767) |
| Rmeas(I)a | 0.191 (2.652) |
| Rpim(I)a | 0.070 (0.963) |
| mean I/σa | 7.6 (0.8) |
| CC1/2 | 0.997 (0.321) |
| completeness (%)a | 100.0 (100.0) |
| multiplicitya | 7.3 (7.5) |
| no. of protein residues | 496 |
| no. of protein atoms | 3824 |
| no. of FAD atoms | 106 |
| Rcrysta | 0.218 (0.324) |
| Rfreeab | 0.264 (0.350) |
| rmsd bonds (Å) | 0.009 |
| rmsd angles (deg) | 1.11 |
| Ramachandran plotc | |
| favored (%) | 94.08 |
| outliers (%) | 0.00 |
| Clashscore (PR)c | 8.8 (97) |
| MolProbity score (PR)c | 2.39 (95) |
| average B—protein (Å2) | 85.4 |
| average B—FAD (Å2) | 67.8 |
| coord. error (Å)d | 0.42 |
| PDB code | 7LRN |
a
Values for the outer resolution shell of data are given in parenthesis.
b
5% test set.
c
From MolProbity. The percentile ranks (PR) for Clashscore and MolProbity score are given in parentheses.
d
Maximum likelihood-based coordinate error estimate from PHENIX.