2HW1
Crystal structure of human ketohexokinase complexed to different sugar molecules
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.1 |
Synchrotron site | SRS |
Beamline | PX14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-10-18 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.977 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 61.264, 107.823, 146.679 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 87.710 - 2.100 |
R-factor | 0.19441 |
Rwork | 0.193 |
R-free | 0.22777 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2hqq |
RMSD bond length | 0.012 |
RMSD bond angle | 1.292 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 87.710 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.066 | 0.340 |
Number of reflections | 27885 | |
<I/σ(I)> | 8.4 | 3.4 |
Completeness [%] | 97.2 | 91.2 |
Redundancy | 3.8 | 3.5 |
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 |