Data collection and refinement statistics.
Wavelength (Å) | 0.97917 |
Space group | P1211 |
Resolution range (Å) | 49.13–1.64 (1.70–1.64) |
Unit cell | 57.71 Å; 64.96 Å; 71.67 Å |
90°;101.62°; 90° | |
Unique reflections | 62 415 (5560) |
Multiplicity | 7.4 (7.2) |
Mean I/Σ(I) | 17.86 (1.62) |
Completeness (%) | 98.78 (88.52) |
Wilson B-factor | 25.12 |
R merge | 0.071 (1.158) |
R meas | 0.076 (1.249) |
R pim | 0.028 (0.462) |
CC1/2 | 1.000 (0.687) |
Reflections used in refinement | 62 415 (5559) |
Reflections used for Rfree | 2000 (178) |
R work | 0.1754 (0.2651) |
R free | 0.2041 (0.2851) |
Number of non-hydrogen atoms | 4208 |
Macromolecules | 3680 |
Ligands | 58 |
Solvent | 470 |
Protein residues | 442 |
RMS (bonds) | 0.004 |
RMS (angles) | 0.80 |
Ramachandran favored (%) | 98.64 |
Ramachandran allowed (%) | 1.36 |
Ramachandran outliers (%) | 0 |
Rotamer outliers (%) | 0.49 |
Clashscore | 1.49 |
Average B-factor | 41.40 |
Macromolecules | 40.76 |
Ligands | 41.72 |
Solvent | 46.37 |
Number of TLS groups | 21 |