3S44
Crystal Structure of Pasteurella multocida sialyltransferase M144D mutant with CMP bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-24 |
| Detector | MARMOSAIC 325 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.440, 61.570, 62.580 |
| Unit cell angles | 90.00, 114.15, 90.00 |
Refinement procedure
| Resolution | 23.930 - 1.450 |
| R-factor | 0.18842 |
| Rwork | 0.187 |
| R-free | 0.21482 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ihj |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.429 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.490 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.034 | 0.455 |
| Number of reflections | 63327 | |
| <I/σ(I)> | 19.06 | 2.58 |
| Completeness [%] | 98.1 | 98.2 |
| Redundancy | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 24% PEG3350, 50 mM sodium chloride, 0.4% Triton X-100, 100 mM HEPES , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
