8VHO
Crystal Structure of E. coli class Ia ribonucleotide reductase alpha subunit bound to dATP
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 | CCD |
Collection date | 2010-10-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97931 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 118.513, 118.513, 290.295 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.785 - 2.548 |
R-factor | 0.1667 |
Rwork | 0.165 |
R-free | 0.20460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3r1r |
RMSD bond length | 0.002 |
RMSD bond angle | 0.660 |
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 | 2.590 |
High resolution limit [Å] | 2.548 | 6.920 | 2.550 |
Rmerge | 0.083 | 0.020 | 0.830 |
Rmeas | 0.093 | 0.023 | 0.930 |
Rpim | 0.042 | 0.011 | 0.416 |
Number of reflections | 68422 | 3743 | 3341 |
<I/σ(I)> | 9.7 | ||
Completeness [%] | 99.9 | 99 | 100 |
Redundancy | 4.8 | 4.5 | 4.9 |
CC(1/2) | 1.000 | 0.694 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 6.8% (w/vol) PEG3350, 80mM HEPES pH7.3, 280mM MgCl2, 4% (vol/vol) glycerol, and 1.0% CYMAL-1 detergent |