5T67
x-ray structure of the KijD1 C3-methyltransferase from Actinomadura kijaniata in complex with SAH and dTDP-sugar product
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-14 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.088, 108.893, 142.783 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.600 |
| R-factor | 0.20081 |
| Rwork | 0.198 |
| R-free | 0.24906 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5t64 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.137 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.352 | |
| Number of reflections | 102095 | |
| <I/σ(I)> | 9 | 2.1 |
| Completeness [%] | 96.4 | 88.5 |
| Redundancy | 3.6 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20-23% PEG-3350, 100 mM MOPS, 100 mM MgCl2, 10 mM dTDP, 5 mM SAH |
