9PV8
X-ray crystal structure of the oligopeptide-binding protein OppA3 from Borrelia burgdorferi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-X |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2023-09-07 |
| Detector | DECTRIS EIGER2 R 4M |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.550, 112.470, 139.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.330 - 1.950 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.21490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.905 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.330 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmeas | 0.096 | 0.431 |
| Number of reflections | 45808 | 2938 |
| <I/σ(I)> | 18.94 | 4.21 |
| Completeness [%] | 98.8 | |
| Redundancy | 11.627 | |
| CC(1/2) | 0.998 | 0.888 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | Condition 18 from PEG/Ion 2 screen (Hampton Research, HR2-098). For cryo-protection, Condition 18 was supplement with 25% ethylene glycol |
