9PJ2
Crystal structure of non-haem diiron azetidine synthase from Streptomyces cacaoi var. asoensis complexed with iron, L-isoleucine and molecular oxygen
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 | 2025-05-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.714, 120.563, 89.059 |
| Unit cell angles | 90.00, 90.93, 90.00 |
Refinement procedure
| Resolution | 31.130 - 2.100 |
| R-factor | 0.1936 |
| Rwork | 0.191 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.807 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.076 | |
| Number of reflections | 105288 | 5190 |
| <I/σ(I)> | 21.4 | 2.35 |
| Completeness [%] | 98.1 | 97.1 |
| Redundancy | 7 | |
| CC(1/2) | 0.998 | 0.828 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Sodium sulfate, 20 % (w/v) PEG 3350, 10 % (v/v) ethylene glycol |
