3NBV
X-ray Structure of Ketohexokinase in complex with AMP-PNP and fructose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2007-04-05 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.845, 86.035, 136.961 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.041 - 2.300 |
| R-factor | 0.2073 |
| Rwork | 0.206 |
| R-free | 0.23660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hlz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.096 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.071 | |
| Number of reflections | 49441 | |
| <I/σ(I)> | 18.9 | 2.85 |
| Completeness [%] | 97.8 | |
| Redundancy | 4.7 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 295 | 17% PEG 8k, 0.1M Na-Citrate, 0.2M Ammonium sulfate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
