6ITE
Crystal structure of group A Streptococcal surface dehydrogenase (SDH)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-22 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.970 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.427, 82.781, 148.921 |
| Unit cell angles | 90.00, 102.05, 90.00 |
Refinement procedure
| Resolution | 44.580 - 1.739 |
| R-factor | 0.1439 |
| Rwork | 0.142 |
| R-free | 0.18120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lvf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.814 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.580 | 1.800 |
| High resolution limit [Å] | 1.739 | 1.740 |
| Rmerge | 0.048 | 0.405 |
| Number of reflections | 164661 | 16379 |
| <I/σ(I)> | 34.7 | |
| Completeness [%] | 99.7 | |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | ammonium sulfate, Tris-HCl pH 7.4 |
