4WX2
Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with two F6F molecules in the alpha-site and one F6F molecule in the beta-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 | 2013-03-24 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 183.809, 58.890, 67.270 |
| Unit cell angles | 90.00, 95.21, 90.00 |
Refinement procedure
| Resolution | 20.950 - 1.750 |
| R-factor | 0.1603 |
| Rwork | 0.158 |
| R-free | 0.18850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kkx |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.721 |
| Data reduction software | iMOSFLM (7.1.1) |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | MOLREP (11.0.02) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.950 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.070 | 0.461 |
| Number of reflections | 72402 | |
| <I/σ(I)> | 9.9 | 2.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 298 | 50 mM Bicine-NaOH, pH 7.8; 10% PEG 8,000; 2 mM spermine |
