7MMR
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta-NrdI complex from Aerococcus urinae in Oxidized Form with Cu(I) bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-08-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.99998 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.398, 104.958, 138.067 |
| Unit cell angles | 90.00, 100.01, 90.00 |
Refinement procedure
| Resolution | 34.320 - 2.000 |
| R-factor | 0.21 |
| Rwork | 0.209 |
| R-free | 0.23410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ebo |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.155 |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.078 | 0.035 | 1.026 |
| Rmeas | 0.084 | 0.037 | 1.109 |
| Rpim | 0.031 | 0.013 | 0.417 |
| Total number of observations | 1050183 | ||
| Number of reflections | 146267 | 7489 | 7245 |
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 99.7 | 99.7 | 98.9 |
| Redundancy | 7.2 | 7.6 | 6.8 |
| CC(1/2) | 0.999 | 0.758 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 17% (w/v) PEG 3350, 0.1 M calcium chloride, 0.1 M Tris pH 8.5 |
