7MMS
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta-NrdI complex from Aerococcus urinae in Semiquinone Form with Cu(I) bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.354, 104.787, 137.412 |
| Unit cell angles | 90.00, 100.29, 90.00 |
Refinement procedure
| Resolution | 49.250 - 1.910 |
| R-factor | 0.2026 |
| Rwork | 0.201 |
| R-free | 0.22640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ebo |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.137 |
| 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 | 1.940 |
| High resolution limit [Å] | 1.910 | 5.180 | 1.910 |
| Rmerge | 0.085 | 0.041 | 1.202 |
| Rmeas | 0.092 | 0.044 | 1.314 |
| Rpim | 0.035 | 0.017 | 0.526 |
| Total number of observations | 1109241 | ||
| Number of reflections | 166049 | 8537 | 8210 |
| <I/σ(I)> | 6.3 | ||
| Completeness [%] | 99.4 | 100 | 98.3 |
| Redundancy | 6.7 | 6.7 | 5.9 |
| CC(1/2) | 0.998 | 0.642 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 17% (w/v) PEG 3350, 0.2 M calcium chloride, 0.1 M Tris pH 8.5 |
