9EMK
DupA from legionella covalently bound to ubiquitin-based probe
This is a non-PDB format compatible entry.
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 | 2022-07-23 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | P 32 |
| Unit cell lengths | 86.808, 86.808, 146.539 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 75.291 - 2.170 |
| Rwork | 0.185 |
| R-free | 0.23890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.835 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.300 | 2.220 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rpim | 0.043 | 0.763 |
| Number of reflections | 65360 | 4611 |
| <I/σ(I)> | 10.7 | 0.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5 | 4.9 |
| CC(1/2) | 0.998 | 0.388 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 20% PEG 6000 0.1 M HEPES pH7 0.2 M MgCl2 |
