Table S3.
Crystal | HopBA1 | HopBA1 SeMet |
Data collection | ||
Space group | P3121 | P3121 |
Cell dimensions | ||
a, b, c, Å | 64.9, 64.9, 96.4 | 64.78, 64.78, 95.01 |
α, β, γ, degrees | 90.00, 90.00, 120.00 | 90.0, 90.0, 120.0 |
Wavelength, Å | 0.9794 | 0.97227 |
Resolution, Å | 32.13–2.01 (2.03–2.01) | 28.05–2.34 (2.36–2.34) |
Rmerge | 5.4 (100.0) | 6.0 (79.9) |
I/σI | 49.9 (1.9) | 24.5 (1.6) |
Unique reflections | 16,048 (423) | 18,759 (464) |
Completeness, % | 99.9 (100.00) | 99.8 (99.1) |
Redundancy | 9.0 (9.1) | 4.8 (4.3) |
Refinement | ||
Resolution, Å | 32.13–2.01 (2.14–2.01) | |
No. reflections | 16,014/800 (2,474/122) | |
Rwork/Rfree | 19.94/24.03 (26.71/30.56) | |
No. of atoms (nonhydrogen) | ||
All | 1676 | |
Protein | 1635 | |
Ions | 3Cl−, 1K+ | |
Water | 37 | |
B factors, Å2 | ||
All | 62.18 | |
Protein | 62.38 | |
Ions | 73.6 | |
Water | 52.32 | |
Rmsd | ||
Bond lengths, Å | 0.011 | |
Bond angles, degrees | 1.19 | |
Ramachandran | ||
Favored, % | 99.1 | |
Generally allowed, % | 0.9 | |
Disallowed, % | 0 | |
Missing residues | 1–22 |
Numbers in parentheses are statistics for the highest-resolution shell.