6TVI
Salmonella typhimurium mutant neuraminidase (D100S)+ DANA
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-11-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.90 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.068, 81.781, 91.065 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.959 - 1.000 |
| Rwork | 0.118 |
| R-free | 0.13320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sil |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.280 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.960 | 1.020 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmeas | 0.091 | 0.573 |
| Number of reflections | 188880 | 9266 |
| <I/σ(I)> | 11.5 | 3.2 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | Crystals grown by hanging drop vapour diffusion. A 1:1 mixture of 15mg/ml protein solution and an 8:4 mixture of 3.0M K2HPO4 to 1.4M KH2P04 was placed above a well of an 8:6 solution of 3.0M K2HPO4 to 1.4M KH2PO4. Then serially cryoprotected in situ to 40% glycerol (v/v with mother liquor) in 10% increments over a period of a few minutes. |
