8VHP
Crystal structure of E. coli class Ia ribonucleotide reductase alpha subunit W28A variant bound to CDP and two molecules of ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979183 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 288.719, 316.613, 158.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.736 - 2.608 |
| R-factor | 0.1891 |
| Rwork | 0.189 |
| R-free | 0.20950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cns |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.762 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
| Rmerge | 0.128 | 0.038 | |
| Rmeas | 0.132 | 0.041 | |
| Rpim | 0.056 | 0.015 | 0.584 |
| Total number of observations | 1584464 | ||
| Number of reflections | 218946 | 11359 | 10841 |
| <I/σ(I)> | 5.2 | ||
| Completeness [%] | 99.8 | 99.3 | 99.9 |
| Redundancy | 7.2 | 7.2 | 6.4 |
| CC(1/2) | 0.999 | 0.535 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 1.9 M ammonium sulfate, 4% (w/vol) PEG MME 500, 0.1 M bis-Tris pH 6.5 |
