3AWJ
Crystal structure of the Huperzia serrata polyketide synthase 1 complexed with CoA-SH
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 | 2007-04-16 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 0.82656 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.600, 84.100, 137.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.232 |
| Rwork | 0.228 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cgk |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.593 |
| 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 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 42570 | |
| <I/σ(I)> | 34.3 | 9.2 |
| Completeness [%] | 99.7 | 98.3 |
| Redundancy | 6.6 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M MES-NaOH, 1925mM ammonium sulfate, 1,1,1,3,3,3-hexafluoro-2-propanol, 2mM CoA-SH, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
