5M3E
Macrodomain of Thermus aquaticus DarG in complex with ADP-ribose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-07 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.410, 60.392, 76.706 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.450 - 2.500 |
R-factor | 0.19695 |
Rwork | 0.195 |
R-free | 0.24375 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dx6 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.603 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.390 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.044 | 0.153 |
Number of reflections | 6306 | |
<I/σ(I)> | 25 | 7 |
Completeness [%] | 98.2 | 85.8 |
Redundancy | 6.7 | 5 |
CC(1/2) | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 200 mM sodium bromide and 20% (w/v) PEG 3350 |