7WSB
The ternary complex structure of FtmOx1 with a-ketoglutarate and 13-oxo-fumitremorgin B
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 | 2021-09-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978520 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 104.050, 85.447, 160.768 |
| Unit cell angles | 90.00, 108.84, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.870 |
| R-factor | 0.1624 |
| Rwork | 0.161 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y5t |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.794 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.920 |
| High resolution limit [Å] | 2.870 | 2.870 |
| Number of reflections | 60482 | 2949 |
| <I/σ(I)> | 13.39 | 2.44 |
| Completeness [%] | 98.5 | |
| Redundancy | 6.4 | |
| CC(1/2) | 0.980 | 0.838 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES/Imidazole pH 6.5, 20% PEG 500 MME, 10% PEG 20,000, 0.03 M MgCl2, 0.03 M CaCl2 |
