1XJN
Structural mechanism of allosteric substrate specificity in a ribonucleotide reductase: dATP-CDP 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 | 2003-01-24 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8126 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 105.970, 123.830, 117.410 |
| Unit cell angles | 90.00, 104.02, 90.00 |
Refinement procedure
| Resolution | 19.540 - 2.250 |
| R-factor | 0.19303 |
| Rwork | 0.190 |
| R-free | 0.25391 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xje |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.915 |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.500 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 138333 | |
| <I/σ(I)> | 8 | 3.2 |
| Completeness [%] | 99.3 | 99.7 |
| Redundancy | 3 | 3 |
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 |
