Table 3 Summary of diffraction data and structure refinement statistics
HpFabZ-Emodin | |
|---|---|
Data collection | |
Space group | P212121 |
Cell dimensions | |
a, b, c(Å) | 74.2036, 100.3975, 186.4314 |
α, β, γ (°) | 90.00, 90.00, 90.00 |
Wavelength (Å) | 1.5418 |
Resolution (Å)1 | 20-2.30 (2.42-2.30) |
Rmerge (%) | 12.4 (55.5) |
I/σI | 18.8 (2.6) |
Completeness (%) | 99.6 (98.3) |
Redundancy | 8.9 (6.1) |
Refinement | |
Resolution (Å) | 20-2.30 (2.42-2.30) |
No. reflections | 54135 |
Rwork/Rfree | 0.199/0.233 |
No. atoms | |
Protein | 7274 |
Ligand/ion | 69 |
Compound | 40 |
Water | 468 |
B-factors | |
Protein | 24.081 |
Ligand/ion | 38.819 |
Water | 29.006 |
Compound | 42.133 |
R.m.s deviations | |
Bond lengths (Å) | 0.008 |
Bond angles (°) | 1.4 |