3KSJ
The alkanesulfonate-binding protein SsuA from Xabthomonas axonopodis pv. citri bound to MES
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2009-10-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.46 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.868, 86.364, 46.454 |
| Unit cell angles | 90.00, 97.46, 90.00 |
Refinement procedure
| Resolution | 24.090 - 2.000 |
| R-factor | 0.188 |
| Rwork | 0.184 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e4r |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.060 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.113 | 0.402 |
| Number of reflections | 15613 | |
| <I/σ(I)> | 6.7 | |
| Completeness [%] | 95.1 | 80.5 |
| Redundancy | 3.4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.2 M MES, pH 6.5, 0.1 M NaCl, 1.6 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
