7MMW
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae (in alternate conformation)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-02-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.375, 52.876, 74.534 |
| Unit cell angles | 109.40, 106.41, 91.47 |
Refinement procedure
| Resolution | 33.820 - 1.550 |
| R-factor | 0.1744 |
| Rwork | 0.173 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ebo |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.133 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
| Rmerge | 0.021 | 0.015 | 0.105 |
| Rmeas | 0.024 | 0.018 | 0.122 |
| Rpim | 0.012 | 0.009 | 0.062 |
| Total number of observations | 343382 | ||
| Number of reflections | 86931 | 4370 | 4265 |
| <I/σ(I)> | 21.2 | ||
| Completeness [%] | 96.6 | 97.2 | 94.8 |
| Redundancy | 4 | 3.8 | 3.9 |
| CC(1/2) | 0.997 | 0.986 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 15% (w/v) PEG 3350, 0.2 M calcium chloride, 0.1 M HEPBS pH 8.5, 10 mM sodium dithionite |
