8VHQ
Crystal structure of E. coli class Ia ribonucleotide reductase alpha subunit W28A variant bound to dATP and 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 | P 21 21 21 |
| Unit cell lengths | 112.695, 139.929, 300.766 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.618 - 3.400 |
| R-factor | 0.2057 |
| Rwork | 0.204 |
| R-free | 0.23270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7RO9 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.505 |
| 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 | 3.520 |
| High resolution limit [Å] | 3.400 | 7.320 | 3.400 |
| Rmerge | 0.094 | 0.043 | 0.792 |
| Rmeas | 0.109 | 0.050 | 0.926 |
| Rpim | 0.054 | 0.025 | 0.470 |
| Total number of observations | 249742 | ||
| Number of reflections | 65872 | 6763 | 6366 |
| <I/σ(I)> | 5.4 | ||
| Completeness [%] | 98.8 | 96.1 | 97.1 |
| Redundancy | 3.8 | 3.8 | 3.6 |
| CC(1/2) | 0.997 | 0.540 |
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. |
