7MMU
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae with Cu(I) bound (Cu acetonitrile soak)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-03-19 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.616, 46.766, 134.077 |
| Unit cell angles | 90.00, 90.52, 90.00 |
Refinement procedure
| Resolution | 44.200 - 2.080 |
| R-factor | 0.1961 |
| Rwork | 0.195 |
| R-free | 0.22450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ebo |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.151 |
| 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 | 2.120 |
| High resolution limit [Å] | 2.080 | 5.640 | 2.080 |
| Rmerge | 0.242 | 0.138 | 0.700 |
| Rmeas | 0.269 | 0.155 | 0.780 |
| Rpim | 0.114 | 0.069 | 0.338 |
| Total number of observations | 212942 | ||
| Number of reflections | 40359 | 2129 | 2023 |
| <I/σ(I)> | 4.5 | ||
| Completeness [%] | 99.8 | 99.3 | 99.6 |
| Redundancy | 5.3 | 5.1 | 4.9 |
| CC(1/2) | 0.982 | 0.775 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 18% (w/v) PEG 3350, 0.2 M magnesium chloride |
