9P48
Treponema denticola OppA complexed with LSLNSS and SAKASA
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-03 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 110.290, 50.950, 112.000 |
| Unit cell angles | 90.00, 109.42, 90.00 |
Refinement procedure
| Resolution | 45.930 - 1.870 |
| R-factor | 0.20891 |
| Rwork | 0.207 |
| R-free | 0.24163 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | autoPROC |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.930 | 1.937 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.098 | |
| Rmeas | 0.106 | |
| Rpim | 0.041 | |
| Number of reflections | 97540 | 9574 |
| <I/σ(I)> | 10.14 | |
| Completeness [%] | 99.9 | 99.62 |
| Redundancy | 6.7 | 5.7 |
| CC(1/2) | 0.998 | 0.142 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.2 M Ammonium iodide, 20% (w/v) PEG3350, 20 mg/mL TdOppA, supplemented with 40 mg/mL DKEVMGILSTALRSMLLTGRDEHGDE (SAR) peptide |
