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 |