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 |