3LHX
Crystal structure of a Ketodeoxygluconokinase (kdgk) from Shigella flexneri
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 86.871, 169.014, 44.624 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.510 - 1.870 |
| R-factor | 0.218 |
| Rwork | 0.215 |
| R-free | 0.25900 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.505 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 1.940 | |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.080 | 0.735 |
| Number of reflections | 54906 | |
| <I/σ(I)> | 30 | 2.89 |
| Completeness [%] | 98.9 | 95.6 |
| Redundancy | 5.5 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 25% PEG 3350, 0.2M Magnesium Chloride hexahydrate, 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
