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 |