2IHJ
crystal structure of multifunctional sialyltransferase from pasteurella multocida with CMP-3F-Neu5Ac bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 109 |
| Detector technology | CCD |
| Collection date | 2006-01-06 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97944 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.805, 65.339, 66.795 |
| Unit cell angles | 90.00, 98.14, 90.00 |
Refinement procedure
| Resolution | 66.080 - 2.000 |
| R-factor | 0.19649 |
| Rwork | 0.195 |
| R-free | 0.22336 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ex1 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.179 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.080 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 35281 | |
| <I/σ(I)> | 15.3 | 2.4 |
| Completeness [%] | 98.7 | 99.31 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% PEG MME 2000 0.2 M NaBr 0.4% Triton X-100, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
