1XJE
Structural mechanism of allosteric substrate specificity in a ribonucleotide reductase: dTTP-GDP complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-08-23 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.811 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.391, 124.376, 107.243 |
| Unit cell angles | 90.00, 103.68, 90.00 |
Refinement procedure
| Resolution | 18.000 - 1.900 |
| R-factor | 0.18445 |
| Rwork | 0.182 |
| R-free | 0.22268 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r1r |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.780 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 119507 | |
| <I/σ(I)> | 12.23 | 3.2 |
| Completeness [%] | 97.2 | 96.6 |
| Redundancy | 2.7 |
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 |
