4KKX
Crystal structure of Tryptophan Synthase from Salmonella typhimurium with 2-aminophenol quinonoid in the beta site and the F6 inhibitor in the alpha site
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 | 2013-03-06 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 183.870, 61.460, 67.390 |
| Unit cell angles | 90.00, 94.70, 90.00 |
Refinement procedure
| Resolution | 29.429 - 1.770 |
| R-factor | 0.1534 |
| Rwork | 0.151 |
| R-free | 0.19640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hpj |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.299 |
| Data reduction software | MOSFLM |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 91.626 | 29.429 | 1.870 |
| High resolution limit [Å] | 1.770 | 5.600 | 1.770 |
| Rmerge | 0.024 | 0.464 | |
| Total number of observations | 7328 | 25633 | |
| Number of reflections | 63604 | ||
| <I/σ(I)> | 9.8 | 26.1 | 1.6 |
| Completeness [%] | 86.8 | 99 | 82.9 |
| Redundancy | 2.8 | 3.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 50 mM Bicine-NaOH, 10-14% PEG 8000, 2 mM spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
