6CGN
X-ray crystal structure of Bacillus subtilis ribonucleotide reductase NrdE alpha subunit dAMP-bound (pH 7)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-04-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 72.266, 72.266, 292.637 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.260 |
R-factor | 0.2212 |
Rwork | 0.220 |
R-free | 0.24570 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.019 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.300 |
High resolution limit [Å] | 2.260 | 6.130 | 2.260 |
Rmerge | 0.181 | 0.036 | 1.846 |
Rmeas | 0.188 | 0.038 | 1.915 |
Rpim | 0.050 | 0.010 | 0.506 |
Number of reflections | 37643 | 2156 | 1794 |
<I/σ(I)> | 5.2 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 14 | 12.7 | 14.2 |
CC(1/2) | 0.999 | 0.772 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1 M HEPES (pH 7.0), 10% (w/v) PEG 6000, 9 mM TCEP |