8VHQ
Crystal structure of E. coli class Ia ribonucleotide reductase alpha subunit W28A variant bound to dATP and 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 | P 21 21 21 |
Unit cell lengths | 112.695, 139.929, 300.766 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.618 - 3.400 |
R-factor | 0.2057 |
Rwork | 0.204 |
R-free | 0.23270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7RO9 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.505 |
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 | 3.520 |
High resolution limit [Å] | 3.400 | 7.320 | 3.400 |
Rmerge | 0.094 | 0.043 | 0.792 |
Rmeas | 0.109 | 0.050 | 0.926 |
Rpim | 0.054 | 0.025 | 0.470 |
Total number of observations | 249742 | ||
Number of reflections | 65872 | 6763 | 6366 |
<I/σ(I)> | 5.4 | ||
Completeness [%] | 98.8 | 96.1 | 97.1 |
Redundancy | 3.8 | 3.8 | 3.6 |
CC(1/2) | 0.997 | 0.540 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 6.5-7.0% (w/vol) PEG3350, 0.1M HEPES 7.0, 0.35M MgSO4, 5% (vol/vol) glycerol. |