2BDT
Crystal Structure of the Putative Gluconate Kinase from Bacillus halodurans, Northeast Structural Genomics Target BhR61
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 43.675, 43.675, 198.846 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.810 - 2.400 |
| R-factor | 0.233 |
| Rwork | 0.233 |
| R-free | 0.28700 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.900 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.077 | 0.658 |
| Number of reflections | 16229 | |
| <I/σ(I)> | 29.1 | 6.6 |
| Completeness [%] | 78.1 | 81.9 |
| Redundancy | 15.1 | 18.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 100mM Bis-Tris, 14% PEG3350, 200mM NH4SO4, 5mM DTT, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
