9KHP
The crystal structure of XhnM1 with SAH
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 | 2023-07-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.990, 124.320, 69.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.450 - 1.730 |
| R-factor | 0.179048283691 |
| Rwork | 0.178 |
| R-free | 0.20333 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.917 |
| 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] | 46.450 | 1.830 |
| High resolution limit [Å] | 1.730 | 1.740 |
| Rmerge | 0.113 | 0.940 |
| Number of reflections | 27619 | 3887 |
| <I/σ(I)> | 17.8 | |
| Completeness [%] | 98.4 | |
| Redundancy | 13.3 | |
| CC(1/2) | 0.999 | 0.878 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M imidazole hydrochloride acid pH 8.0,0.2 M calcium acetate, and 10% pEG8000 |
