6KRJ
Crystal structure of Hexokinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-06-21 |
| Detector | RIGAKU |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.570, 77.520, 108.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.170 - 1.720 |
| R-factor | 0.1786 |
| Rwork | 0.177 |
| R-free | 0.20570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hex |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.848 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.720 | 1.780 |
| Rmerge | 0.098 | 0.742 |
| Rpim | 0.021 | 0.248 |
| Number of reflections | 61084 | 62194 |
| <I/σ(I)> | 22.8 | 3.18 |
| Completeness [%] | 99.6 | 98.2 |
| Redundancy | 7.6 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 200mM Calcium acetate hydrate, 20% PEG 3350 |
