3DAM
Crystal Structure of Allene oxide synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-06-25 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 126.535, 126.535, 164.046 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.380 - 2.400 |
R-factor | 0.198 |
Rwork | 0.198 |
R-free | 0.24300 |
Structure solution method | MIR |
RMSD bond length | 0.006 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHARP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 26120 | |
<I/σ(I)> | 15.2 | 2.4 |
Completeness [%] | 98.6 | 100 |
Redundancy | 98.6 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.2M (NH4)H2PO4, 50% MPD 0.1M Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |