6XT0
Salmonella typhimurium tryptophan synthase complexed with dioxindolyl-L-alanine and D-glycerol-3-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 184.790, 59.190, 67.350 |
| Unit cell angles | 90.00, 95.00, 90.00 |
Refinement procedure
| Resolution | 46.020 - 1.370 |
| R-factor | 0.16 |
| Rwork | 0.159 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2tys |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.762 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.044 | 1.480 |
| High resolution limit [Å] | 1.321 | 1.320 |
| Rmerge | 0.107 | 0.633 |
| Number of reflections | 86081 | |
| <I/σ(I)> | 10.6 | 1.1 |
| Completeness [%] | 87.2 | 75.1 |
| Redundancy | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 0.05 M bicine, pH 7.8, 5 mM EDTA, 0.1 mM PLP, 1 mM DTT, and 1 mM spermine tetrahydrochloride with 6-8% glycerol and 10-12% PEG 3350 |
