1XJM
Structural mechanism of allosteric substrate specificity in a ribonucleotide reductase: dTTP complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-08-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.804 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.438, 123.776, 106.241 |
| Unit cell angles | 90.00, 103.64, 90.00 |
Refinement procedure
| Resolution | 19.980 - 2.400 |
| R-factor | 0.18767 |
| Rwork | 0.184 |
| R-free | 0.24654 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xje |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.718 |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.600 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 57953 | |
| <I/σ(I)> | 8.4 | 3.9 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | PEG8000, sodium acetate, sodium chloride, dithiotreithol, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
