9KM6
The crystal structure of XhnM1 and its inhibitor sinefugin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 147.020, 147.020, 128.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.979 - 2.000 |
| R-factor | 0.202665974044 |
| Rwork | 0.201 |
| R-free | 0.23642 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.579 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.980 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.083 | 1.518 |
| Number of reflections | 47707 | 3461 |
| <I/σ(I)> | 26.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 26.1 | |
| CC(1/2) | 1.000 | 0.836 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | .01 M sodium chloride, 1.5 M ammonium sulfate |
