5HNH
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 | 2015-10-23 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00004 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 59.666, 164.402, 44.033 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.287 - 1.876 |
R-factor | 0.1707 |
Rwork | 0.169 |
R-free | 0.19950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vla |
RMSD bond length | 0.009 |
RMSD bond angle | 1.028 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.287 | 1.990 |
High resolution limit [Å] | 1.876 | 1.880 |
Rmerge | 0.047 | 0.560 |
Number of reflections | 35505 | |
<I/σ(I)> | 14.14 | 1.93 |
Completeness [%] | 97.3 | 90.8 |
Redundancy | 3.26 | 3.17 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | Tacsimate, PEG 3350 |