7LTP
The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.47 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2020-11-09 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 182.414, 59.223, 67.186 |
| Unit cell angles | 90.00, 94.84, 90.00 |
Refinement procedure
| Resolution | 39.160 - 1.470 |
| R-factor | 0.1347 |
| Rwork | 0.133 |
| R-free | 0.16650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ht3 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.230 |
| Data reduction software | xia2 (0.5.902) |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | MOLREP (11.7.02) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 90.882 | 39.164 | 1.550 |
| High resolution limit [Å] | 1.469 | 4.650 | 1.470 |
| Rmerge | 0.032 | 0.023 | 0.199 |
| Rmeas | 0.054 | 0.044 | 0.273 |
| Rpim | 0.028 | 0.022 | 0.189 |
| Total number of observations | 14627 | 9874 | |
| Number of reflections | 104631 | 3995 | 5014 |
| <I/σ(I)> | 18 | 38.9 | 4 |
| Completeness [%] | 86.1 | 99.6 | 28.5 |
| Redundancy | 3.3 | 3.7 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8 |
