5HLT
Crystal structure of pyrene- and phenanthrene-modified DNA in complex with the BpuJ1 endonuclease binding domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-19 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.000010 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.870, 85.503, 115.905 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.491 - 2.672 |
R-factor | 0.203 |
Rwork | 0.201 |
R-free | 0.24360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vla |
RMSD bond length | 0.003 |
RMSD bond angle | 0.609 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.491 | 2.830 |
High resolution limit [Å] | 2.672 | 2.672 |
Number of reflections | 40071 | |
<I/σ(I)> | 12.89 | 1.7 |
Completeness [%] | 94.5 | 89.5 |
Redundancy | 1.79 | 1.71 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | Magnesium acetate, PEG 3350 |