3A5Q
Benzalacetone synthase from Rheum palmatum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL24XU |
| Synchrotron site | SPring-8 |
| Beamline | BL24XU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-11-29 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 0.82656 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.635, 89.612, 81.068 |
| Unit cell angles | 90.00, 100.47, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.189 |
| Rwork | 0.184 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bq6 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 69819 | |
| <I/σ(I)> | 25.4 | 7.5 |
| Completeness [%] | 98.3 | 97.3 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 16% PEG8000, 0.1M sodium citrate, 0.15M potassium thiocyanate, pH5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
