8VHR
Crystal structure of E. coli class Ia ribonucleotide reductase alpha subunit W28A variant bound to dATP and GTP
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 | P 21 21 21 |
| Unit cell lengths | 113.576, 141.078, 301.877 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.869 - 3.550 |
| R-factor | 0.2016 |
| Rwork | 0.197 |
| R-free | 0.24270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7RO9 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.510 |
| 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 | 3.680 |
| High resolution limit [Å] | 3.550 | 7.640 | 3.550 |
| Rmerge | 0.075 | 0.032 | 0.938 |
| Rmeas | 0.078 | 0.037 | |
| Rpim | 0.042 | 0.018 | 0.543 |
| Total number of observations | 239539 | ||
| Number of reflections | 57221 | 5883 | 5471 |
| <I/σ(I)> | 8.2 | ||
| Completeness [%] | 95.9 | 93.3 | 93.6 |
| Redundancy | 4.2 | 4.1 | 4 |
| CC(1/2) | 0.998 | 0.648 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 6.5-7.0% (w/vol) PEG3350, 0.1M HEPES 7.0, 0.35M MgSO4, 5% (vol/vol) glycerol |
