3AIA
Crystal structure of DUF358 reveals a putative SPOUT-class methltransferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.009 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.862, 93.869, 53.837 |
| Unit cell angles | 90.00, 100.14, 90.00 |
Refinement procedure
| Resolution | 30.500 - 1.400 |
| R-factor | 0.18989 |
| Rwork | 0.188 |
| R-free | 0.21821 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ai9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.341 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 77530 | |
| <I/σ(I)> | 38.2 | 11.1 |
| Completeness [%] | 99.2 | 96.3 |
| Redundancy | 7.3 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | PET, MgCl2, Ammonium Fluoride, Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
