3C23
Structure of a bacterial DNA damage sensor protein with non-reactive Ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2007-12-08 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.871 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 88.090, 125.170, 166.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.500 |
Rwork | 0.214 |
R-free | 0.27100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c1y |
RMSD bond length | 0.007 |
RMSD bond angle | 1.380 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.660 |
High resolution limit [Å] | 2.500 | 2.510 |
Rmerge | 0.137 | 0.354 |
Number of reflections | 31875 | |
<I/σ(I)> | 13.07 | 5.33 |
Completeness [%] | 98.8 | 97.2 |
Redundancy | 6.65 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.75 | 293 | 0.1M MES pH 6.75, 0.17M Ammoniumacetate, 35% MPD, 1.6mM Cordycepin(3'-deoxy-ATP), VAPOR DIFFUSION, SITTING DROP, temperature 293K |