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 |