Table 2 Data collection and refinement statistics.
| Â | GITR/Ab-#1-Fab complex |
|---|---|
Wavelength | 1.00000 |
Resolution range | 37.05–2.86 (2.962–2.86) |
Space group | P 61 2 2 |
Unit cell | 113.198 113.198 219.664 90 90 120 |
Total reflections | 37,444 (3,882) |
Unique reflections | 18,736 (1,941) |
Multiplicity | 2.0 (2.0) |
Completeness (%) | 93.77 (100.00) |
Mean I/sigma(I) | 21.19 (2.58) |
Wilson B-factor | 76.40 |
R-merge | 0.0181 (0.2692) |
R-meas | 0.0256 (0.3807) |
R-pim | 0.0181 (0.2692) |
CC1/2 | 1 (0.824) |
CC* | 1 (0.951) |
Reflections used in refinement | 18,734 (1,941) |
Reflections used for R-free | 859 (71) |
R-work | 0.2141 (0.3064) |
R-free | 0.2559 (0.3303) |
CC(work) | 0.952 (0.799) |
CC(free) | 0.995 (0.801) |
Number of non-hydrogen atoms | 4,229 |
Macromolecules | 4,182 |
Ligands | 18 |
Solvent | 29 |
Protein residues | 556 |
RMS(bonds) | 0.004 |
RMS(angles) | 0.78 |
Ramachandran favored (%) | 95.80 |
Ramachandran allowed (%) | 4.01 |
Ramachandran outliers (%) | 0.18 |
Rotamer outliers (%) | 3.37 |
Clashscore | 10.22 |
Average B-factor | 109.53 |
Macromolecules | 109.58 |
Ligands | 175.23 |
Solvent | 62.50 |
Number of TLS groups | 18 |
