2BRJ
X-ray structure of the Allene Oxide Cyclase from Arabidopsis thaliana
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-09-29 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.480, 99.950, 106.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.740 - 1.500 |
| R-factor | 0.174 |
| Rwork | 0.173 |
| R-free | 0.19100 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.224 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | HKL2Map |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 1.600 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.070 | 0.390 |
| Number of reflections | 203601 | |
| <I/σ(I)> | 19.3 | 5.3 |
| Completeness [%] | 95.9 | 94.2 |
| Redundancy | 7.8 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 10% PEG 3350, 200MM NACL, 100MM PHOSPHATE-CITRATE BUFFER, PH 4.2 HANGING DROP SETUP |
