8VHN
Crystal Structure of E. coli class Ia ribonucleotide reductase alpha subunit bound to two ATP molecules
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 | 2011-02-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97936 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 118.991, 118.991, 290.879 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.852 - 2.620 |
R-factor | 0.1681 |
Rwork | 0.166 |
R-free | 0.20860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7RO8 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.853 |
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 | 2.670 |
High resolution limit [Å] | 2.620 | 7.110 | 2.620 |
Rmerge | 0.107 | 0.048 | 0.772 |
Rmeas | 0.115 | 0.052 | 0.831 |
Rpim | 0.041 | 0.018 | 0.300 |
Total number of observations | 458752 | ||
Number of reflections | 63413 | 3374 | 3146 |
<I/σ(I)> | 8.1 | ||
Completeness [%] | 99.4 | 95.9 | 99.5 |
Redundancy | 7.2 | 6.7 | 7.1 |
CC(1/2) | 0.998 | 0.756 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 8.0% (w/vol)PEG3350, 80 mM HEPES pH 7.3, 280 mM magnesium chloride, 4% (vol/vol) glycerol, 1.0% CYMAL-1 detergent |