4CQ7
The crystal structure of the allene oxide cyclase 2 from Arabidopsis thaliana with bound product - OPDA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-18 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.500, 100.400, 105.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.267 - 1.700 |
| R-factor | 0.1665 |
| Rwork | 0.165 |
| R-free | 0.18960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gin |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.317 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.170 | 0.680 |
| Number of reflections | 76040 | |
| <I/σ(I)> | 7.6 | 2.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.5 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 0.1 M MG-ACETATE, 0.1 M NA-CITRATE PH 5.6, 8% PEG10000 |
