3UUS
Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 287.358, 153.457, 169.416 |
| Unit cell angles | 90.00, 119.91, 90.00 |
Refinement procedure
| Resolution | 50.000 - 5.650 |
| Rwork | 0.257 |
| R-free | 0.30340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2R1R and PDB entry 1MXR |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.820 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 5.850 |
| High resolution limit [Å] | 5.650 | 5.650 |
| Number of reflections | 19134 | |
| <I/σ(I)> | 9.3 | 2.1 |
| Completeness [%] | 99.4 | 99.4 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 10.8% PEG 3350, 0.18M magnesium acetate, 0.09M MOPS pH 7.5, 0.01M iron (III) chloride, 4.5% glycerol , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
