2G13
CsoS1A with sulfate ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 6 |
| Unit cell lengths | 66.196, 66.196, 27.421 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 57.350 - 1.610 |
| R-factor | 0.22 |
| Rwork | 0.218 |
| R-free | 0.26000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2ewh |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.613 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.104 | 0.388 |
| Number of reflections | 9134 | 891 |
| <I/σ(I)> | 12.7 | |
| Completeness [%] | 99.8 | 98.5 |
| Redundancy | 14.4 | 12.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | The reservoir contained 30% PEG 400, 0.1M 2(cyclohexylamino)ethanosulfonic acid. The crystal was then move to a reservoir containing 30% PEG 400, 0.1M 2(cyclohexylamino)ethanosulfonic acid, and 0.2M Na2SO4., pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
