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 |