2IIQ
Crystal structure of Pasteurella multocida sialyltransferase in an open conformation with CMP bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-29 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.528, 61.572, 119.547 |
| Unit cell angles | 90.00, 94.77, 90.00 |
Refinement procedure
| Resolution | 59.550 - 2.300 |
| R-factor | 0.21006 |
| Rwork | 0.208 |
| R-free | 0.25554 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ex0 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.348 |
| Data reduction software | PROTEUM PLUS (PLUS) |
| Data scaling software | PROTEUM PLUS (PLUS) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.550 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 38951 | |
| <I/σ(I)> | 5.35 | 1.78 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6.16 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 25%, PEG 3350, 0.1 M NaCl, 0.1 M HEPES, 0.4% Triton X-100 streak seeded by apo crystals, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
