1L9W
CRYSTAL STRUCTURE OF 3-DEHYDROQUINASE FROM SALMONELLA TYPHI COMPLEXED WITH REACTION PRODUCT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.928 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.610, 158.560, 85.890 |
| Unit cell angles | 90.00, 93.61, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.100 |
| Rwork | 0.177 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qfe |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.069 * | |
| Number of reflections | 49700 | |
| Completeness [%] | 76.5 | 70.12 |
| Redundancy | 3.42 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sparse matrix method * | 5.5 | 293 | PEG 4000, citrate-phosphate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PEG4000 | ||
| 2 | 1 | 1 | citrate-phosphate | 100 (mM) | pH5.0-6.0 |
