5EK8
Crystal structure of a 9R-lipoxygenase from Cyanothece PCC8801 at 2.7 Angstroms
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91736, 1.03663 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 121.166, 121.166, 234.673 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.763 - 2.700 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.24620 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.823 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXCD |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 30.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 20.000 | 2.700 |
| Rmerge | 0.087 | 0.675 | |
| Rmeas | 0.091 | 0.824 | |
| Total number of observations | 158532 | ||
| Number of reflections | 28631 | ||
| <I/σ(I)> | 19.6 | 1.79 | |
| Completeness [%] | 99.7 | 99.9 | |
| Redundancy | 5.5 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 40% pentaerythritol propoxylate (5/4 PO/OH), 0.14 M KCl and 50 mM HEPES |
