1KZ8
CRYSTAL STRUCTURE OF PORCINE FRUCTOSE-1,6-BISPHOSPHATASE COMPLEXED WITH A NOVEL ALLOSTERIC-SITE INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-07-24 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 59.650, 165.940, 79.223 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.17918 |
| Rwork | 0.177 |
| R-free | 0.23800 * |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | PDB ID 1FPD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.136 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.044 | 0.214 |
| Number of reflections | 54052 | |
| <I/σ(I)> | 29.7 | 7.77 |
| Completeness [%] | 97.9 | 93.9 |
| Redundancy | 8 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.2 | pH 7.2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | potassium phosphate | 8 (mM) | pH7.2 |
| 2 | 1 | drop | EDTA | 1 (mM) | |
| 3 | 1 | drop | beta-mercaptoethanol | 1 (mM) | |
| 4 | 1 | drop | 0.5 (mM) | ||
| 5 | 1 | drop | 25 | 1 (mM) | |
| 6 | 1 | drop | protein | 15 (mg/ml) | |
| 7 | 1 | reservoir | HEPES | 100 (mM) | pH7.0 |
| 8 | 1 | reservoir | sodium acetate | 200 (mM) | |
| 9 | 1 | reservoir | PEG4000 | 13.5 (%) |
