3NDI
X-ray Structure of a C-3'-Methyltransferase in Complex with S-adenosylmethionine and dTMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-24 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 100.963, 114.385, 37.782 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| R-factor | 0.19655 |
| Rwork | 0.195 |
| R-free | 0.23188 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | In-house MIR model |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.126 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.500 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.084 | 0.350 |
| Number of reflections | 68520 | |
| <I/σ(I)> | 10.71 | 2.65 |
| Completeness [%] | 96.0 | 88.8 |
| Redundancy | 4.51 | 2.53 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.3 M - 1.5 M Sodium/potassium Phosphate, 10 mM Deoxythymidine 5'-monophosphate, 5 mM S-adenosyl methionine, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
