4H6A
Crystal Structure of the Allene Oxide Cyclase 2 from Physcomitrella patens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.589, 115.396, 87.027 |
| Unit cell angles | 90.00, 91.58, 90.00 |
Refinement procedure
| Resolution | 19.449 - 1.950 |
| R-factor | 0.2015 |
| Rwork | 0.200 |
| R-free | 0.23080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AOC1 from Physcomytrella patens |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.794 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.500 | 2.090 | |
| High resolution limit [Å] | 1.950 | 30.000 | 1.980 |
| Rmerge | 0.052 | 0.502 | |
| Number of reflections | 92382 | 13246 | |
| <I/σ(I)> | 21.11 | 3.24 | |
| Completeness [%] | 99.7 | 99.9 | |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | 12 % to 14 % (w/v) PEG 4000, 0.25 M (NH4)2SO4, 10 % (w/v) isopropanol and 0.1 M HEPES-KOH, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
