11IF
Crystal Structure of an exported phospholipid binding protein from Bordetella pertussis in complex with Di-palmitoyl-3-sn-phosphatidylethanolamine (DPPE), P43 form 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 19-ID |
| Synchrotron site | NSLS-II |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2026-01-31 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 43 |
| Unit cell lengths | 51.144, 51.144, 71.918 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.680 - 1.510 |
| R-factor | 0.1812 |
| Rwork | 0.180 |
| R-free | 0.20970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.830 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (2.0_5936) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.680 | 1.540 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Rmerge | 0.042 | 1.120 |
| Rmeas | 0.044 | 1.229 |
| Rpim | 0.012 | 0.489 |
| Total number of observations | 359048 | 7928 |
| Number of reflections | 28912 | 1313 |
| <I/σ(I)> | 25.7 | 1.5 |
| Completeness [%] | 99.4 | |
| Redundancy | 12.4 | 6 |
| CC(1/2) | 1.000 | 0.566 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | Morpheus A4: 12.5%(v/v) MPD, 12.5%(v/v) PEG 1000, 12.5%(w/v) PEG 3350, 100 mM Imidazole/MES, pH 6.5, 30 mM MgCl2 and 30 mM CaCl2. BopeA.18500.a.B2.PW39485 at 22.8 mg/mL. Large mass of electron density observed in the core was modeled as a DPPE phospholipid that was acquired from the E. coli expression host. plate 20557 A1 drop 1, Puck: PSL-1503, Cryo: direct |
