3VF1
Structure of a calcium-dependent 11R-lipoxygenase suggests a mechanism for Ca-regulation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-31 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97916 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.800, 148.710, 117.330 |
| Unit cell angles | 90.00, 119.16, 90.00 |
Refinement procedure
| Resolution | 36.482 - 2.473 |
| R-factor | 0.2027 |
| Rwork | 0.202 |
| R-free | 0.22810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.598 |
| Data reduction software | xia2 |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | MrBUMP |
| Refinement software | PHENIX (dev_849) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.482 | 36.482 | 2.540 |
| High resolution limit [Å] | 2.473 | 11.060 | 2.473 |
| Rmerge | 0.024 | 0.474 | |
| Total number of observations | 1961 | 8631 | |
| Number of reflections | 59434 | ||
| <I/σ(I)> | 10.1 | 24.4 | 1.5 |
| Completeness [%] | 97.1 | 91.2 | 84.6 |
| Redundancy | 3 | 3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 295 | 11-12% PEG 3350, 15% sucrose, 0.1M bis-Tris HCl, pH 7.2, vapor diffusion, hanging drop, temperature 295K |
