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 |