Table 1.
MycP1mth (PDB 4HVL) | MycP3msm (PDB 4KG7) | |
---|---|---|
Data collection | ||
Space group | P212121 | P1 |
Cell dimensions | ||
a, b, c (Å) | 61.95, 73.08, 75.42 | 42.82, 46.95, 47.54 |
α β γ(°) | 90, 90, 90 | 77.27, 68.35, 74.47 |
Resolution (Å) | 47.9–2.00 (2.11–2.00)1 | 43.8–1.50 (1.58–1.50) |
Rsym | 0.117 (0.684) | 0.048 (0.411) |
I/Iσ | 14.2 (2.2) | 15.6 (2.3) |
Completeness (%) | 99.7 (98.0) | 91.4 (65.4) |
Multiplicity | 6.7 (4.1) | 2.6 (2.5) |
Refinement | ||
Resolution (Å) | 47.9–2.00 | 43.8–1.50 |
No. reflections (total/free) | 23667/1208 | 48069/2432 |
Rwork/Rfree | 0.169/0.206 | 0.151/0.185 |
No. atoms | ||
Protein | 2653 | 2648 |
Ligand/ion | 31 | 1 |
Water | 209 | 533 |
B-factors | ||
Protein | 23.5 | 13.3 |
Ligand/ion | 24.0 | 17.8 |
Water | 31.1 | 27.0 |
Wilson B | 28.5 | 19.2 |
R.m.s. deviations | ||
Bond lengths (Å) | 0.010 | 0.010 |
Bond angles (°) | 1.310 | 1.410 |
Ramachandran distribution (%)2 | ||
Favored | 97.6 | 96.4 |
Outliers | 0.0 | 0.0 |
Values in parentheses are for the highest-resolution shell.
Calculated using the MolProbity server (http://molprobity.biochem.duke.edu).