3O0N
Thermotoga maritima Ribonucleotide Reductase, NrdJ, in complex with dTTP and Adenosylcobalamin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-24 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.931 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 119.010, 123.820, 106.440 |
Unit cell angles | 90.00, 103.10, 90.00 |
Refinement procedure
Resolution | 19.970 - 1.950 |
R-factor | 0.2049 |
Rwork | 0.203 |
R-free | 0.24930 |
Structure solution method | RIGID BODY REFINEMENT |
Starting model (for MR) | 1xje |
RMSD bond length | 0.007 |
RMSD bond angle | 1.081 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | PHENIX ((phenix.refine: 1.6.2_432)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.092 | 0.088 |
Number of reflections | 108100 | |
<I/σ(I)> | 0.0159 | |
Completeness [%] | 99.0 | |
Redundancy | 4.45 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 10% PEG8000, 0.1M sodium acetate, 0.1 M sodium chloride, 10mM DTT (dithiotreithol), 5% glycerol, crystallization geometry: 4 microL protein 11miligram/milliL + 2uL reservoir solution over 300 microL in 24-well plate. Crystals in 3-4 days, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |