3A09
Crystal structure of Sphingomonas sp. A1 alginate-binding protein AlgQ1 in complex with unsaturated trimannuronate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-15 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.378, 67.725, 63.206 |
| Unit cell angles | 90.00, 94.98, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.400 |
| R-factor | 0.131 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y3n |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.029 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.047 | 0.409 |
| Number of reflections | 92768 | |
| <I/σ(I)> | 27.3 | 1.62 |
| Completeness [%] | 95.5 | 83.5 |
| Redundancy | 3.6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.6 | 293 | 20% PEG4000, 0.1M citrate, pH 5.6, VAPOR DIFFUSION, temperature 293K |
