3A5S
Benzalacetone synthase (I207L/L208F)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-08 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.328, 90.022, 83.983 |
| Unit cell angles | 90.00, 102.15, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.187 |
| Rwork | 0.184 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a5q |
| 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 | 74279 | |
| <I/σ(I)> | 19.7 | 4.4 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 3.7 | 3.5 |
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 |
