1JS3
Crystal structure of dopa decarboxylase in complex with the inhibitor carbidopa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE D41A |
| Synchrotron site | LURE |
| Beamline | D41A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1993-04-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9500 |
| Spacegroup name | P 62 |
| Unit cell lengths | 154.360, 154.360, 86.780 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.610 - 2.250 |
| R-factor | 0.144 |
| Rwork | 0.144 |
| R-free | 0.18700 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.610 | 2.300 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.056 * | |
| Number of reflections | 53582 | |
| <I/σ(I)> | 9.5 | 4.7 |
| Completeness [%] | 95.8 | 70.7 |
| Redundancy | 2.9 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG MME 5000, MES, ammonium sulfate at pH 6.5, VAPOR DIFFUSION, HANGING DROP at 298K, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG5000 MME | 30 (%(w/v)) | |
| 2 | 1 | reservoir | MES/KOH | 50 (mM) | |
| 3 | 1 | reservoir | ammonium sulfate | 400 (mM) | |
| 4 | 1 | drop | enzyme | 30.0 (mg/ml) |
