8ABW
Crystal structure of SpLdpA in complex with threo-DGPD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-05 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 69.983, 69.983, 85.892 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 85.892 - 1.830 |
| Rwork | 0.176 |
| R-free | 0.22890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NaLdpA |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.665 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.085 | 1.850 |
| High resolution limit [Å] | 1.711 | 1.711 |
| Rmerge | 0.166 | 2.398 |
| Rpim | 0.038 | 0.549 |
| Number of reflections | 22162 | 1107 |
| <I/σ(I)> | 12.9 | 1.5 |
| Completeness [%] | 94.7 | 55.8 |
| Redundancy | 20.2 | 19.8 |
| CC(1/2) | 0.999 | 0.623 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG 6000, 0.2 M MgCl2, 0.1 M HEPES pH 7.0 |
