8VHP
Crystal structure of E. coli class Ia ribonucleotide reductase alpha subunit W28A variant bound to CDP and two molecules of ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-08-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979183 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 288.719, 316.613, 158.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.736 - 2.608 |
R-factor | 0.1891 |
Rwork | 0.189 |
R-free | 0.20950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cns |
RMSD bond length | 0.004 |
RMSD bond angle | 0.762 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
Rmerge | 0.128 | 0.038 | |
Rmeas | 0.132 | 0.041 | |
Rpim | 0.056 | 0.015 | 0.584 |
Total number of observations | 1584464 | ||
Number of reflections | 218946 | 11359 | 10841 |
<I/σ(I)> | 5.2 | ||
Completeness [%] | 99.8 | 99.3 | 99.9 |
Redundancy | 7.2 | 7.2 | 6.4 |
CC(1/2) | 0.999 | 0.535 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 1.9 M ammonium sulfate, 4% (w/vol) PEG MME 500, 0.1 M bis-Tris pH 6.5 |