8DC1
Structural and biochemical characterization of L. interrogans Lsa45 reveals a penicillin-binding protein with esterase activity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2018-03-15 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.5499 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.141, 74.862, 113.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.170 - 1.620 |
| R-factor | 0.186 |
| Rwork | 0.185 |
| R-free | 0.21059 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.336 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AutoSol |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.220 | 1.650 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.171 | 2.786 |
| Rmeas | 0.184 | 2.858 |
| Rpim | 0.033 | 0.619 |
| Number of reflections | 48588 | 2223 |
| <I/σ(I)> | 21.9 | 2.1 |
| Completeness [%] | 99.7 | 94.7 |
| Redundancy | 31.5 | 20.9 |
| CC(1/2) | 0.999 | 0.524 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291.15 | Solution consisting of 100 mM Tris-HCl, pH 8.5, 30% PEG 1500 and 8% MPD |
