Table 1. Data collection and refinement statistics.
TnpA/LE29/T6′ | |
---|---|
Crystal properties | |
Space group | P41212 |
Unit cell: a, b, c (Å) | 138.64, 138.64, 117.95 |
Unit cell: α, β, γ (°) | 90, 90, 90 |
Data collection | |
Beamline | ID30B (ESRF) |
Wavelength (Å) | 0.97 |
Resolution range (Å) | 89.84–2.6 (2.691–2.598) |
Total reflections | 351387 (35340) |
Unique reflections | 35947 (3525) |
Multiplicity | 9.8 (10.0) |
Completeness (%) | 99.72 (99.58) |
R-merge | 0.2929 (1.317) |
R-meas | 0.3091 (1.387) |
R-pim | 0.09723 (0.4295) |
I/σI | 6.03 (1.40) |
CC1/2 | 0.994 (0.738) |
Wilson B-factor | 38.49 |
Refinement | |
R-work | 0.1970 (0.3030) |
R-free | 0.2383 (0.3609) |
Number of non-hydrogen atoms | 7412 |
Protein residues | 508 |
RMS (bonds) | 0.003 |
RMS (angles) | 0.57 |
Ramachandran favoured (%) | 97.20 |
Ramachandran outliers (%) | 0.00 |
Clashscore | 2.63 |
Average B-factor | 34.98 |
Number of TLS groups | 12 |
Values in parentheses refer to the highest resolution shell.