5T64
X-ray structure of the C3-methyltransferase KijD1 from Actinomadura kijaniata in complex with TDP and SAH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-10 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.340, 110.894, 143.251 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.18273 |
| Rwork | 0.181 |
| R-free | 0.22042 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ndi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.712 |
| 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] | 87.690 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.338 | |
| Number of reflections | 89296 | |
| <I/σ(I)> | 10.7 | 2.5 |
| Completeness [%] | 98.0 | 92.4 |
| Redundancy | 4.2 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20-23% PEG-3350, 100 mM MgCl2, 100 mM MOPS, 10 mM dTDP, 5 mM SAH |
