6EBZ
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae in Activated Form with Thiocyanate Bound
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 | 2018-02-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.041, 108.973, 84.031 |
Unit cell angles | 90.00, 90.14, 90.00 |
Refinement procedure
Resolution | 45.040 - 1.660 |
R-factor | 0.1967 |
Rwork | 0.196 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.039 |
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 | 1.690 |
High resolution limit [Å] | 1.660 | 4.500 | 1.660 |
Rmerge | 0.084 | 0.054 | 0.823 |
Rmeas | 0.095 | 0.061 | 1.021 |
Rpim | 0.043 | 0.027 | 0.592 |
Total number of observations | 632884 | ||
Number of reflections | 163766 | 8480 | 6798 |
<I/σ(I)> | 8.7 | ||
Completeness [%] | 96.4 | 97.9 | 80.9 |
Redundancy | 3.9 | 4.5 | 2.1 |
CC(1/2) | 0.989 | 0.448 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 15% PEG 3350, 0.2 M calcium chloride, 0.15 M sodium thiocyanate |