1XJJ
Structural mechanism of allosteric substrate specificity in a ribonucleotide reductase: dGTP complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-09-20 |
Detector | MARRESEARCH |
Wavelength(s) | 0.964 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.070, 123.880, 106.300 |
Unit cell angles | 90.00, 103.70, 90.00 |
Refinement procedure
Resolution | 42.260 - 1.860 |
R-factor | 0.1985 |
Rwork | 0.196 |
R-free | 0.24066 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xje |
RMSD bond length | 0.018 |
RMSD bond angle | 1.799 |
Data scaling software | XDS |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.000 | 2.000 |
High resolution limit [Å] | 1.860 | 1.860 |
Number of reflections | 124131 | |
<I/σ(I)> | 12.2 | 3.4 |
Completeness [%] | 99.8 | 100 |
Redundancy | 5.2 | 4.2 |
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 |