4H6C
Crystal Structure of the Allene Oxide Cyclase 1 from Physcomitrella patens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 |
| Unit cell lengths | 67.321, 67.430, 161.775 |
| Unit cell angles | 84.61, 79.32, 61.99 |
Refinement procedure
| Resolution | 19.800 - 1.350 |
| R-factor | 0.1396 |
| Rwork | 0.138 |
| R-free | 0.17410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dio |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.587 |
| Data reduction software | MOSFLM |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.800 | 1.450 | |
| High resolution limit [Å] | 1.350 | 20.000 | 1.350 |
| Rmerge | 0.023 | 0.417 | |
| Number of reflections | 446841 | 82875 | |
| <I/σ(I)> | 15.98 | 2.2 | |
| Completeness [%] | 82.4 | 79.3 | |
| Redundancy | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 292 | Hampton Magic Screen condition no. 49 containing 20 % (w/v) PEG 8000, 0.1 M Na3PO4, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
