5I0J
Crystal structure of DR2231_E47A mutant in complex with dUMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.939 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 149.731, 78.070, 52.439 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.531 - 1.800 |
R-factor | 0.175 |
Rwork | 0.173 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 2YFC |
RMSD bond length | 0.007 |
RMSD bond angle | 0.788 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.531 | 43.531 | 1.900 |
High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
Rmerge | 0.029 | 0.883 | |
Number of reflections | 57862 | ||
<I/σ(I)> | 12.4 | 18.7 | 0.9 |
Completeness [%] | 99.9 | 99.4 | 100 |
Redundancy | 5.3 | 4.8 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.5 | 293 | Lithium Acetate, PEG3350 |