7MMV
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae with Cu(I) bound (Cu sulfate 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 | 53.735, 46.743, 133.922 |
| Unit cell angles | 90.00, 90.32, 90.00 |
Refinement procedure
| Resolution | 38.360 - 1.780 |
| R-factor | 0.1815 |
| Rwork | 0.180 |
| R-free | 0.20860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ebo |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.156 |
| 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 | 1.810 |
| High resolution limit [Å] | 1.780 | 4.830 | 1.780 |
| Rmerge | 0.147 | 0.046 | 0.957 |
| Rmeas | 0.158 | 0.050 | 1.038 |
| Rpim | 0.058 | 0.018 | 0.400 |
| Total number of observations | 462174 | ||
| Number of reflections | 62957 | 3346 | 3056 |
| <I/σ(I)> | 6.7 | ||
| Completeness [%] | 98.0 | 99.2 | 96.7 |
| Redundancy | 7.3 | 7.3 | 6.4 |
| CC(1/2) | 0.996 | 0.825 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 18% (w/v) PEG 3350, 0.2 M magnesium chloride |
