9DQ2
Crystal structure of HrmJ from Streptomyces sp. CFMR 7 (HrmJ-ssc) complexed with vanadyl(IV)-oxo, succinate and 6-nitronorleucine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-1 |
| Synchrotron site | SSRL |
| Beamline | BL12-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.113, 78.836, 97.166 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.360 - 1.550 |
| R-factor | 0.1965 |
| Rwork | 0.196 |
| R-free | 0.21110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.209 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.172 | |
| Number of reflections | 84079 | 4147 |
| <I/σ(I)> | 10.8 | |
| Completeness [%] | 99.8 | |
| Redundancy | 11.8 | |
| CC(1/2) | 0.976 | 0.976 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M NaBr; 20% (w/v) PEG 3350 |
