3O0Q
Thermotoga maritima Ribonucleotide Reductase, NrdJ, in complex with dTTP, GDP and Adenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-5 |
| Synchrotron site | MAX II |
| Beamline | I911-5 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.969 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.120, 124.380, 106.820 |
| Unit cell angles | 90.00, 103.43, 90.00 |
Refinement procedure
| Resolution | 23.119 - 1.800 |
| R-factor | 0.178 |
| Rwork | 0.176 |
| R-free | 0.20990 |
| Structure solution method | Rigid Body refinement |
| Starting model (for MR) | 1xje |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.086 |
| 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] | 25.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.075 | 0.474 |
| Number of reflections | 138378 | |
| <I/σ(I)> | 2.24 | |
| Completeness [%] | 99.0 | 99.9 |
| Redundancy | 3.13 | 3.13 |
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 |
