1QCO
CRYSTAL STRUCTURE OF FUMARYLACETOACETATE HYDROLASE COMPLEXED WITH FUMARATE AND ACETOACETATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-10-04 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.640, 110.940, 67.810 |
| Unit cell angles | 90.00, 102.52, 90.00 |
Refinement procedure
| Resolution | 27.900 - 1.900 |
| R-factor | 0.159 |
| Rwork | 0.159 |
| R-free | 0.19200 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 24.310 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.900 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.067 | 0.264 |
| Total number of observations | 148826 * | |
| Number of reflections | 67124 | |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 91.4 | 60.9 |
| Redundancy | 2.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | PEG 6000, SODIUM CACODYLATE, NICKEL ACETATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 25 (mM) | |
| 3 | 1 | drop | 25 (mM) | ||
| 4 | 1 | reservoir | PEG8000 | 17 (%) | |
| 5 | 1 | reservoir | nickel acetate | 60 (mM) | |
| 6 | 1 | reservoir | sodium acetate | 180 (mM) | |
| 7 | 1 | reservoir | sodium cacodylate | 100 (mM) |
