9PPU
Beta-sandwich forming metallopeptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.362460 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 41.320, 41.320, 53.493 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.700 - 1.490 |
| R-factor | 0.1591 |
| Rwork | 0.155 |
| R-free | 0.19090 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.346 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX (1.20.1_4487) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.700 | 1.543 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.126 | 0.370 |
| Rmeas | 0.129 | 0.408 |
| Rpim | 0.027 | 0.166 |
| Number of reflections | 148327 | 3336 |
| <I/σ(I)> | 19.31 | 3.06 |
| Completeness [%] | 98.0 | 80.41 |
| Redundancy | 18.9 | 5.3 |
| CC(1/2) | 0.998 | 0.905 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 6.0 M ammonium nitrate, 0.1 M BIS TRIS propane pH 7.0 |
