4HGX
Crystal structure of xylose isomerase domain containing protein (stm4435) from salmonella typhimurium lt2 with unknown ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | KURCHATOV SNC BEAMLINE K4.4 |
| Synchrotron site | KURCHATOV SNC |
| Beamline | K4.4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-21 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.985 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 93.180, 93.180, 125.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.150 - 2.600 |
| R-factor | 0.1962 |
| Rwork | 0.191 |
| R-free | 0.30240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q02 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.276 |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.460 | 2.960 | |
| High resolution limit [Å] | 2.600 | 30.000 | 2.600 |
| Rmerge | 0.159 | 0.631 | |
| Number of reflections | 17523 | 5497 | |
| <I/σ(I)> | 17.88 | 4.97 | |
| Completeness [%] | 99.4 | 99.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.01M Cobalt(II) chloride hexahydrate, 0.1M MES monohydrate pH 6.5, 1.8M Ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
