2ZHG
Crystal structure of SoxR in complex with DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44B2 |
Synchrotron site | SPring-8 |
Beamline | BL44B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-29 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 53.374, 53.374, 355.159 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.940 - 2.800 |
R-factor | 0.243 |
Rwork | 0.243 |
R-free | 0.28100 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.930 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.104 | 0.459 |
Number of reflections | 7602 | |
<I/σ(I)> | 13 | 2.6 |
Completeness [%] | 91.1 | 58.4 |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 277 | 50mM Bis-Tris pH 6.6-6.8, 0.3M K/Na tartrate, 15% (w/v) PEG 10000, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | Bis-Tris | ||
2 | 1 | 1 | K/Na tartrate | ||
3 | 1 | 1 | PEG 10000 | ||
4 | 1 | 1 | HOH | ||
5 | 1 | 2 | Bis-Tris | ||
6 | 1 | 2 | K/Na tartrate | ||
7 | 1 | 2 | PEG 10000 | ||
8 | 1 | 2 | HOH |