3HJ6
Structure of Halothermothrix orenii fructokinase (FRK)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9790, 0.9794, 0.9600 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.446, 171.941, 46.598 |
| Unit cell angles | 90.00, 112.97, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.800 |
| R-factor | 0.2541 |
| Rwork | 0.254 |
| R-free | 0.28800 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.590 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.046 | 0.224 |
| Number of reflections | 30770 | |
| <I/σ(I)> | 37.529 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 8.5 | 297.15 | 8% PEG4000, 0.8M LiCl2, 0.1M Tris-HCl, pH 8.5, EVAPORATION, temperature 297.15K |
