TABLE 4 .
Data collection and refinement statistics
| Parameter | LapA result(s)a |
|---|---|
| Crystal parameters | |
| Space group | P212121 |
| Cell dimensions (Å) | a = 76.60; b = 99.95; c = 104.02 |
| Data collection | |
| Beamline | DLS I03 |
| Wavelength (Å) | 0.97625 |
| Resolution (Å) | 99.55–1.87 (1.87–1.92) |
| No. of unique observations | 66,414 (4,808) |
| Rsymb | 0.063 (1.2) |
| <I>/σI | 12.5 (3.7) |
| Completeness (%) | 100 (100) |
| Redundancy | 6.5 (6.2) |
| Refinementc | |
| Rwork/Rfree (%) | 19.2/23.8 |
| No. of protein residues | 719 |
| No. of water molecules | 313 |
| No. of ions | 4 Zn ions |
| RMSD stereochemistryd | |
| Bond lengths (Å) | 0.022 |
| Bond angles (°) | 2.045 |
| Ramachandran analysise | |
| Residues in outlier regions (%) | 0.0 |
| Residues in favored regions (%) | 98.6 |
| Residues in allowed regions (%) | 100 |
a
Numbers in parentheses refer to the outermost resolution shell.
b
Rsym = ∑|I − <I>|/∑I, where I is the integrated intensity of a given reflection and <I> is the mean intensity of multiple corresponding symmetry-related reflections.
c
Rwork = ∑||Fo − |Fc||/∑Fo, where Fo and Fc are the observed and calculated structure factors, respectively. Rfree = Rwork values calculated using 10% random data excluded from the refinement.
d
The RMSD stereochemistry value represents the deviation from ideal values.
e
Ramachandran analysis was carried out using Molprobity (81).