3KBZ
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-05-19 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.386, 83.290, 277.961 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.860 - 2.450 |
| Rwork | 0.230 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fta |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNX (2000.1) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.540 |
| High resolution limit [Å] | 2.450 | 5.270 | 2.450 |
| Rmerge | 0.072 | 0.054 | 0.130 |
| Number of reflections | 52622 | ||
| <I/σ(I)> | 30.4 | ||
| Completeness [%] | 89.3 | 82.3 | 95.8 |
| Redundancy | 4.3 | 4.4 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 8-10% PEG 3350, 0.15M NaCl, 0.1M Tris/HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
