2FHY
Structure of human liver FPBase complexed with a novel benzoxazole as allosteric inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-22 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.748, 109.126, 190.838 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.890 - 2.950 |
| R-factor | 0.24 |
| Rwork | 0.225 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data scaling software | HKL-2000 |
| Phasing software | CNX |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.040 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.083 | 0.304 |
| Number of reflections | 32415 | |
| <I/σ(I)> | 15.4 | 2.9 |
| Completeness [%] | 88.8 | 65.7 |
| Redundancy | 3.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | vapor diffusion, under oil | 6.5 | 0.2 M magnesium acetate, 0.1M sodium cacodylate, 20% PEG8K in the presence of ZMP, pH 6.5, vapor diffusion, under oil |
