3ALE
A type III polyketide synthase that produces diarylheptanoid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-01-08 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5814 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.700, 97.200, 126.200 |
| Unit cell angles | 90.00, 103.70, 90.00 |
Refinement procedure
| Resolution | 25.960 - 2.500 |
| R-factor | 0.226 |
| Rwork | 0.221 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a5q |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 54813 | |
| <I/σ(I)> | 21.7 | 5.2 |
| Completeness [%] | 93.0 | 88.6 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293 | 0.1M HEPES-NaOH, 1.995M ammonium sulfate, 3% dimethylsulfoxide, 2mM coenzyme A, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
