1Q45
12-0xo-phytodienoate reductase isoform 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2003-06-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.113, 85.068, 121.824 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.920 - 2.000 |
| R-factor | 0.1888 |
| Rwork | 0.186 |
| R-free | 0.23600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.640 * |
| Data scaling software | SCALEPACK |
| Phasing software | SOMORE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.920 * | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.133 | 0.687 |
| Number of reflections | 48056 * | |
| <I/σ(I)> | 5.7 | 1.11 |
| Completeness [%] | 91.3 * | 43.6 |
| Redundancy | 6.09 | 0.39 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 * | 297 | Glycine, MEPEG 5000, triethanolamine, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | MES | 100 (mM) | pH6.0 |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | drop | TCEP | 0.3 (mM) | |
| 5 | 1 | reservoir | mmePEG5000 | 8.75-10.0 (%) | |
| 6 | 1 | reservoir | triethanolamine | 0.1 (M) | pH8.0 |
| 7 | 1 | reservoir | glycine | 0.275-0.35 (M) |
