8IUU
Crystal structure of Manganese-rebound N(omega)-hydroxy-L-arginine hydrolase with oxidized Cys86
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.940, 46.743, 58.338 |
| Unit cell angles | 85.33, 86.91, 70.59 |
Refinement procedure
| Resolution | 35.220 - 1.260 |
| R-factor | 0.1656 |
| Rwork | 0.165 |
| R-free | 0.18650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.873 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.17.1_3660: 000)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.990 | 1.280 |
| High resolution limit [Å] | 1.260 | 1.260 |
| Rmerge | 0.055 | 0.548 |
| Rmeas | 0.073 | 0.734 |
| Rpim | 0.047 | 0.485 |
| Total number of observations | 225171 | 5911 |
| Number of reflections | 110843 | 3037 |
| <I/σ(I)> | 6.1 | 2 |
| Completeness [%] | 89.9 | |
| Redundancy | 2 | 1.9 |
| CC(1/2) | 0.995 | 0.538 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 298 | PEG 4000, MgCl2 |
