2GIN
X-ray structure of the wt allene oxide cyclase 2 from arabidopsis thaliana
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-28 |
| Detector | MAR CCD 225 mm |
| Wavelength(s) | 0.950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.900, 104.200, 86.700 |
| Unit cell angles | 90.00, 95.10, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| Rwork | 0.207 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2brj |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.758 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 107806 | 33731 |
| <I/σ(I)> | 11.27 | 4.8 |
| Completeness [%] | 97.7 | 93.8 |
| Redundancy | 4.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 14% (w/v) PEG 8000, 6%(v/v) tert. Butanol, 100mM MES, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
