1HKB
CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-02 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.000, 122.000, 123.000 |
| Unit cell angles | 90.00, 92.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.800 |
| R-factor | 0.2 |
| Rwork | 0.200 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | YEAST HEXOKINASE COMPLEXED WITH GLUCOSE (BARTUNIK UNPUBLISHED) |
| RMSD bond length | 0.007 |
| RMSD bond angle | 25.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 2.900 |
| High resolution limit [Å] | 2.790 | 2.800 |
| Rmerge | 0.055 * | 0.320 * |
| Total number of observations | 58613 * | |
| Number of reflections | 113243 | |
| <I/σ(I)> | 13 | 3 |
| Completeness [%] | 96.9 | 88 |
| Redundancy | 1.9 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.6 | drop was combined with an equal volume of reservoir solution * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | Gluc-6-P | 20 (mM) | |
| 3 | 1 | reservoir | PEG8000 | 5-7 (%(w/v)) | |
| 4 | 1 | reservoir | Gluc-6-P | 20 (mM) | |
| 5 | 1 | reservoir | sodium acetate | 0.1 (M) | |
| 6 | 1 | reservoir | sodium citrate | 0.1 (M) |
