1HYO
CRYSTAL STRUCTURE OF FUMARYLACETOACETATE HYDROLASE COMPLEXED WITH 4-(HYDROXYMETHYLPHOSPHINOYL)-3-OXO-BUTANOIC ACID
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-11-15 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.102, 109.458, 67.459 |
| Unit cell angles | 90.00, 102.37, 90.00 |
Refinement procedure
| Resolution | 27.000 - 1.300 |
| R-factor | 0.181 |
| Rwork | 0.181 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qcn |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.535 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.000 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.270 |
| Rmerge | 0.046 | 0.366 |
| Total number of observations | 672278 * | |
| Number of reflections | 227518 | |
| <I/σ(I)> | 15.6 | 1.4 |
| Completeness [%] | 96.6 | 81.8 |
| Redundancy | 2.95 | 2.95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG 6000, nickel acetate, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3 (mg/ml) | |
| 2 | 1 | reservoir | PEG8000 | 17-18 (%) | |
| 3 | 1 | reservoir | nickel acetate | 0.03-0.15 (M) | |
| 4 | 1 | reservoir | sodium acetate | 0.00-0.24 (M) | |
| 5 | 1 | reservoir | sodium cacodylate | 0.1 (M) |
