4KDP
TcaR-ssDNA complex crystal structure reveals the novel ssDNA binding mechanism of the MarR family proteins
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-28 |
Detector | Bruker DIP-6040 |
Wavelength(s) | 1 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 91.899, 91.899, 261.534 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 16.000 - 3.600 |
R-factor | 0.274 |
Rwork | 0.274 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kp7 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.985 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.730 |
High resolution limit [Å] | 3.600 | 3.600 |
Rmerge | 0.052 | 0.526 |
Number of reflections | 15179 | |
<I/σ(I)> | 18.2 | 2.1 |
Completeness [%] | 98.8 | 99.7 |
Redundancy | 3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 40 % ethylene glycol, 0.1 M Tris , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |