7E1B
Crystal structure of VbrR-DNA complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-04-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97818 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 329.942, 114.064, 114.036 |
Unit cell angles | 90.00, 110.02, 90.00 |
Refinement procedure
Resolution | 46.006 - 4.587 |
R-factor | 0.2766 |
Rwork | 0.265 |
R-free | 0.32060 |
Structure solution method | SAD |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 4.760 |
High resolution limit [Å] | 4.587 | 9.890 | 4.600 |
Rmerge | 0.065 | 0.026 | 1.024 |
Rmeas | 0.078 | 0.032 | 1.250 |
Rpim | 0.042 | 0.017 | 0.708 |
Number of reflections | 15995 | 2370 | 1677 |
<I/σ(I)> | 7.2 | ||
Completeness [%] | 93.7 | 98.4 | 72.7 |
Redundancy | 3.2 | 3.1 | 2.8 |
CC(1/2) | 0.998 | 0.534 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M NaCl, 0.1 M MES pH 6.6, and 20% PEG4000 |