Table 1 Data collection and processing statistics
From: Design and structural characterisation of olfactomedin-1 variants as tools for functional studies
Data Collection | ||
PDB ID | 6QHJ (Olfm1Olf) | 6QM3 (Olfm1coil-Olf) |
Beamline | ESRF ID30A-3 | DLS I03 |
Resolution range (Å)a | 36.76–1.25 (1.29–1.25) | 75.99–1.89 (2.10–1.89) |
Wavelength (Å) | 0.9677 | 0.9762 |
Space Group | I222 | C2 |
Unit Cell Dimensions | ||
a, b, c (Å) | 61.79, 79.63, 111.72 | 160.7, 47.0, 105.0 |
α, β, γ | 90.0, 90.0, 90.0 | 90.0, 117.4, 90.0 |
Measured reflections | 416,910 | 95,762 |
Unique reflections | 72,028 | 29,117 |
Mean I/σ | 13.7 (1.0) | 10.3 (1.7) |
Completeness (%) | 94.6 (63.9) | 92.2 (77.2) |
Redundancy | 5.8 (2.4) | 3.3 (3.4) |
Rmerge (%) | 8.4 (90.8) | 6.0 (75.1) |
CC1/2 | 0.998 (0.445) | 0.998 (0.551) |
Data Refinement | ||
Resolution Range (Å) | 33.75–1.25 | 71.30–2.00 |
Total reflections | 72,027 | 28,629 |
Test set | 3623 | 1459 |
Rwork | 0.124 | 0.179 |
Rfree | 0.141 | 0.216 |
No. of protein atoms | 4374 | 4321 |
No. of ligand atoms | 156 | 133 |
No. of water atoms | 298 | 99 |
RMSD from ideal | ||
Bonds (Å) | 0.010 | 0.007 |
Angles (°) | 1.168 | 0.852 |
Mean B factor (Å2) | 17.25 | 49.09 |
Ramachandran | ||
Favoured (%) | 96.8 | 96.4 |
Outliers (%) | 0.4 | 0.0 |
Clashscoreb | 1.11 | 3.58 |