1XJG
Structural mechanism of allosteric substrate specificity in a ribonucleotide reductase: dATP-UDP 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 | 2003-06-28 |
Detector | MARRESEARCH |
Wavelength(s) | 0.803 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.537, 123.514, 105.886 |
Unit cell angles | 90.00, 102.60, 90.00 |
Refinement procedure
Resolution | 24.870 - 2.500 |
R-factor | 0.19816 |
Rwork | 0.195 |
R-free | 0.26366 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xje |
RMSD bond length | 0.019 |
RMSD bond angle | 1.940 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 48781 | |
<I/σ(I)> | 21.5 | 3.77 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.1 |
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 |