1YCL
Crystal Structure of B. subtilis LuxS in Complex with a Catalytic 2-Ketone Intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-08-30 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 62.530, 62.530, 149.650 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 16.050 - 1.800 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jvi |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | CrystalClear (D*TREK (MSC/RIGAKU)) |
| Phasing software | CNS (1.1) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.100 | 1.870 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.099 | 0.534 |
| Number of reflections | 22296 | |
| <I/σ(I)> | 12.7 | 4.1 |
| Completeness [%] | 99.6 | 97.3 |
| Redundancy | 11.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | Hepes, ammonium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
