3DSJ
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase Variant (F137L) (At-AOS(F137L), cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOD at 1.60 A Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-04 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9998 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.441, 105.021, 162.335 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.040 - 1.600 |
| R-factor | 0.17046 |
| Rwork | 0.169 |
| R-free | 0.19043 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3cli |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.286 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 143685 | |
| Completeness [%] | 99.7 | 94.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | PEG4000, Glycerol, Tris-HCL, pH7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
