7BHY
DNA-binding domain of DeoR in complex with the DNA operator
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 96.836, 96.836, 81.966 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.340 - 2.300 |
R-factor | 0.2091 |
Rwork | 0.206 |
R-free | 0.26390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2w48 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.609 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.340 | 43.340 | 2.440 |
High resolution limit [Å] | 2.300 | 6.830 | 2.300 |
Rmerge | 0.144 | 0.028 | 1.952 |
Rmeas | 0.151 | 0.030 | 2.086 |
Total number of observations | 194360 | ||
Number of reflections | 17897 | 773 | 2803 |
<I/σ(I)> | 14.08 | 64.68 | 1.03 |
Completeness [%] | 99.6 | 99.1 | 98.9 |
Redundancy | 10.86 | 9.868 | 8.153 |
CC(1/2) | 0.999 | 0.999 | 0.552 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | 0.03 M NaNO3, 0.03 M Na2HPO4, 0.03 M (NH4)2SO4, 0.1 M Trizma base/bicine buffer system, pH 8.5, 12.5% (v/v) 2-methyl 2,4 pentanediol, 12.5% (v/v) PEG 1,000, and 12.5% (v/v) PEG 3,350 |