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 |