1Z8K
X-ray structure of allene oxide cyclase from Arabidopsis thaliana at3g25770
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97924, 0.97156, 0.97947 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.412, 100.013, 105.386 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.712 |
R-factor | 0.15031 |
Rwork | 0.149 |
R-free | 0.18000 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.394 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE (2.08) |
Refinement software | REFMAC (refmac_5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.166 | 50.000 | 1.770 |
High resolution limit [Å] | 1.710 | 3.680 | 1.710 |
Rmerge | 0.075 | 0.045 | 0.252 |
Number of reflections | 73976 | ||
<I/σ(I)> | 19.995 | 5.811 | |
Completeness [%] | 100.0 | 99.9 | |
Redundancy | 14.1 | 14 | 12.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 10 mg/ml protein, 11% PEG 8K, 0.100 M SODIUM ACETATE, pH 4.5, vapor diffusion, hanging drop, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 10 mg/ml protein, 11% PEG 8K, 0.100 M SODIUM ACETATE, pH 4.5, vapor diffusion, hanging drop, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 10 mg/ml protein, 11% PEG 8K, 0.100 M SODIUM ACETATE, pH 4.5, vapor diffusion, hanging drop, temperature 293K |