7MMQ
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta-NrdI complex from Aerococcus urinae in Reduced Hydroquinone Form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.385, 105.012, 138.128 |
| Unit cell angles | 90.00, 100.58, 90.00 |
Refinement procedure
| Resolution | 49.690 - 2.400 |
| R-factor | 0.2005 |
| Rwork | 0.198 |
| R-free | 0.24080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ebo |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.177 |
| 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 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmerge | 0.086 | 0.027 | 0.772 |
| Rmeas | 0.094 | 0.030 | 0.887 |
| Rpim | 0.038 | 0.012 | 0.426 |
| Total number of observations | 501421 | ||
| Number of reflections | 84812 | 4428 | 3586 |
| <I/σ(I)> | 7.2 | ||
| Completeness [%] | 98.3 | 99.9 | 83.4 |
| Redundancy | 5.9 | 6.2 | 3.6 |
| CC(1/2) | 0.999 | 0.573 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 19% (w/v) PEG 3350, 0.2 M calcium chloride, 0.1 M Tris pH 8.5, 10 mM sodium dithionite |
