1ICQ
CRYSTAL STRUCTURE OF 12-OXOPHYTODIENOATE REDUCTASE 1 FROM TOMATO COMPLEXED WITH 9R,13R-OPDA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-07-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 1 |
| Unit cell lengths | 53.583, 72.759, 72.616 |
| Unit cell angles | 62.42, 85.19, 79.96 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.198 * |
| Rwork | 0.198 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb: 1ICP |
| RMSD bond length | 0.009 * |
| RMSD bond angle | 1.440 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.043 | 0.149 |
| Total number of observations | 99966 * | |
| Number of reflections | 54064 | |
| <I/σ(I)> | 14.6 | 2.9 |
| Completeness [%] | 83.6 | 54.6 |
| Redundancy | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 * | 18 * | Tris/HCl, ammonium sulfate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | MOPS-KOH | 10 (mM) | |
| 3 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 4 | 1 | reservoir | ammonium sulfate | 1.45 (M) | |
| 5 | 1 | reservoir | PEG400 | 2 (%) |
