8DQ3
X-ray crystal structure of Aggregatibacter actinomycetemcomitans dimanganese(II) class Id ribonucleotide reductase beta subunit
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 | 2019-06-11 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.213, 156.540, 80.722 |
Unit cell angles | 90.00, 91.09, 90.00 |
Refinement procedure
Resolution | 44.220 - 1.670 |
R-factor | 0.1709 |
Rwork | 0.170 |
R-free | 0.19540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7M8G |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.220 | 1.730 |
High resolution limit [Å] | 1.670 | 1.670 |
Rmeas | 0.070 | |
Rpim | 0.026 | |
Number of reflections | 148843 | 14355 |
<I/σ(I)> | 27.235 | 3.7 |
Completeness [%] | 99.5 | 100 |
Redundancy | 7.4 | 6.9 |
CC(1/2) | 0.876 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 294 | 0.2 M magnesium formate, 16% (w/v) PEG 3350 |