Table I. Crystallographic data collection and structure refinement statistics.
| Dataset | LcIFNd |
|---|---|
| Data collection | |
| Beamline | BL-02U1, SSRF |
| Wavelength (Å) | 0.97918 |
| Resolution rangea,b | 37.22–1.49 (1.543–1.49) |
| Space group | P 1 21 1 |
| Cell dimensions | |
| a, b, c (Å) | 40.378, 38.813, 51.091 |
| α, β, γ (°) | 90.00, 112.817, 90.00 |
| Total reflections | 45,866 (4,719) |
| Unique reflections | 23,089 (2,374) |
| Multiplicity | 2.0 (2.0) |
| Completeness (%) | 95.80 (98.67) |
| Mean I/σ I | 16.59 (2.41) |
| Rmerge | 0.02326 (0.2676) |
| Rmeas | 0.03289 (0.3784) |
| Rpim | 0.02326 (0.2676) |
| CC1/2 | 0.999 (0.888) |
| Refinement | |
| Reflections used in refinement | 23,060 (2,372) |
| Reflections used for Rfree | 1089 (126) |
| Rwork | 0.1746 (0.2301) |
| Rfree | 0.2242 (0.2824) |
| Wilson B factor (Å2) | 18.98 |
| Number of nonhydrogen atoms | 1357 |
| Macromolecules | 1206 |
| Protein residues | 150 |
| RMS (bonds) | 0.017 |
| RMS (angles) | 1.99 |
| Ramachandran favored (%) | 99.32 |
| Ramachandran allowed (%) | 0.68 |
| Ramachandran outliers (%) | 0.00 |
| Rotamer outliers (%) | 1.53 |
| Clashscore | 5.49 |
| Average B factor (Å2) | 27.52 |
CC1/2, Pearson correlation coefficient between two randomly selected halves of the dataset; mean I/σ I, mean average intensity/average intensity error; SSRF, Shanghai Synchrotron Radiation Facility.
a
One crystal sample was used for structure determination. Values in parentheses are for the highest-resolution shell.
b
CC1/2 in the highest resolution shell was statistically significant at the 0.1% level.