2HQQ
Crystal structure of human ketohexokinase complexed to different sugar molecules
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-05-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 61.260, 109.619, 146.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 87.710 - 1.860 |
| R-factor | 0.20768 |
| Rwork | 0.205 |
| R-free | 0.23384 |
| Structure solution method | Single Isomorphous Replacement |
| Starting model (for MR) | 1rkd |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.296 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.706 | 1.960 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.063 | 0.325 |
| Number of reflections | 41681 | |
| <I/σ(I)> | 6.6 | 5 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 7.3 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 291 | 0.7M ammonium sulphate, 0.5M lithium sulphate, 0.1M sodium citrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
