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 |