2F9C
Crystal structure of YDCK from Salmonella cholerae. NESG target SCR6
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-09 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97893, 0.9793, 0.97628 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 104.602, 104.602, 162.423 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.800 |
| R-factor | 0.253 |
| Rwork | 0.253 |
| R-free | 0.32300 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.940 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.133 | 0.682 |
| Number of reflections | 33051 | |
| <I/σ(I)> | 29.678 | 2.54 |
| Completeness [%] | 98.6 | 91.4 |
| Redundancy | 12.63 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 10 mM magnesium sulfate, 50 mM sodium cacodylate, 1800 mM lithium sulfate, soaked with 100m M CsI for 24h, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
