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) |