9FM0
Human antibody (Fab) and P. aeruginosa (T3SS) protein PcrV-fragment complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-15 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.965459 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.582, 92.308, 105.220 |
| Unit cell angles | 90.00, 104.83, 90.00 |
Refinement procedure
| Resolution | 49.210 - 2.560 |
| Rwork | 0.210 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.266 |
| Data reduction software | XDS (20220820) |
| Data scaling software | XSCALE (20220820) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.210 | 2.710 |
| High resolution limit [Å] | 2.559 | 2.560 |
| Number of reflections | 52157 | 8128 |
| <I/σ(I)> | 5.02 | 0.72 |
| Completeness [%] | 99.5 | 99.2 |
| Redundancy | 3.38 | 3.3 |
| CC(1/2) | 0.977 | 0.312 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | Micro-seeding, 0.1 M Sodium Acetate pH 5, 25% PEG 1000, 0.001M ZnCl2 |
