8SU0
Unliganded F96H epi-Isozizaene Synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.465, 76.156, 107.667 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.170 - 1.990 |
| R-factor | 0.1849 |
| Rwork | 0.183 |
| R-free | 0.21160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.951 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.314 | 0.801 |
| Number of reflections | 27010 | 1857 |
| <I/σ(I)> | 13.8 | 3.3 |
| Completeness [%] | 99.8 | |
| Redundancy | 6.5 | |
| CC(1/2) | 0.969 | 0.551 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 100 mM Bis-Tris (pH 6.8), 200 mM (NH4)2SO4, 31% (w/v) PEG 3350 |
