6EBO
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae in Unactivated Form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-03-27 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.847, 109.074, 83.728 |
| Unit cell angles | 90.00, 90.04, 90.00 |
Refinement procedure
| Resolution | 39.670 - 1.580 |
| R-factor | 0.1622 |
| Rwork | 0.162 |
| R-free | 0.17220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kgn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.062 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.610 |
| High resolution limit [Å] | 1.580 | 4.290 | 1.580 |
| Rmerge | 0.111 | 0.052 | 0.649 |
| Rmeas | 0.120 | 0.056 | 0.718 |
| Rpim | 0.044 | 0.020 | 0.300 |
| Total number of observations | 1410978 | ||
| Number of reflections | 194118 | 9941 | 8677 |
| <I/σ(I)> | 7.9 | ||
| Completeness [%] | 99.3 | 99.9 | 88.8 |
| Redundancy | 7.3 | 7.6 | 5.5 |
| CC(1/2) | 0.997 | 0.759 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 16% (w/v) PEG 4000, 0.3 M calcium chloride, 0.1 M Tris pH 8.5 |
