Table 1 Native data collection and refinement statistics
From: A novel nuclear receptor subfamily enlightens the origin of heterodimerization
NR7 | |
|---|---|
Data collection and processing | |
Source | ESRF ID29 |
Detector | Pilatus 6M |
Wavelength (Å) | 0.9762 |
Resolution range (Å) | 40.09–2.0 (2.07–2.0) |
Space group | P3212 |
Cell dimensions | |
a, b, c (Å) | 46.29, 46.29, 163.02 |
α, β, γ (°) | 90, 90, 120 |
Total reflections | 85020 (7025) |
Unique reflections | 13153 (1164) |
Multiplicity | 6.5 (6.0) |
Completeness (%) | 94.54 (85.53) |
Mean I/σ(I) | 23.92 (1.66) |
Overall B factor from Wilson plot (Å2) | 46.35 |
Rmeas. (%) | 0.040 (1.051) |
Rp.i.m. (%) | 0.015 (0.406) |
CC1/2 | 1 (0.667) |
CC* | 1 (0.895) |
Structure refinement | |
Reflections used in refinement | 13153 (1164) |
Reflections used for R-free | 609 (63) |
Rwork (%) | 0.192 (0.294) |
Rfree (%) | 0.236 (0.364) |
CC(work) | 0.945 (0.736) |
CC(free) | 0.940 (0.598) |
Number of non-hydrogen atoms | 1935 |
Macromolecules | 1867 |
Solvent | 68 |
Protein residues | 232 |
R.m.s.d. from ideal values | |
Bond lengths (Å) | 0.014 |
Bond angles (°) | 1.64 |
Ramachandran statistics | |
Favored (%) | 95.65 |
Allowed (%) | 4.35 |
Outliers (%) | 0 |
Average B factors (Å2) | 68.7 |
Macromolecules | 69.09 |
Solvent | 58.03 |