3LDF
Crystal structure of SMU.776, a putative methyltransferase complexed with SAH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-13 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 165.684, 50.828, 59.569 |
| Unit cell angles | 90.00, 107.14, 90.00 |
Refinement procedure
| Resolution | 12.000 - 2.230 |
| R-factor | 0.17649 |
| Rwork | 0.173 |
| R-free | 0.23199 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b78 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.778 |
| Data reduction software | PROTEUM PLUS (PLUS) |
| Data scaling software | PROTEUM PLUS (PLUS) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.180 | 2.330 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 22057 | |
| <I/σ(I)> | 10.73 | |
| Completeness [%] | 90.8 | 71.9 |
| Redundancy | 2.25 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 20% PEG 8000, 0.1M Na cacodylate pH6.5, 0.2M MgAc2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
