7F9H
complex structure of EnrR-DNA
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 | 2018-08-25 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97928 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 104.228, 58.490, 67.569 |
Unit cell angles | 90.00, 98.37, 90.00 |
Refinement procedure
Resolution | 29.630 - 1.780 |
R-factor | 0.2017 |
Rwork | 0.201 |
R-free | 0.22200 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.309 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AutoSol |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.840 |
High resolution limit [Å] | 1.750 | 3.340 | 1.750 |
Rmerge | 0.054 | 0.036 | 0.383 |
Rmeas | 0.058 | 0.039 | 0.418 |
Rpim | 0.022 | 0.015 | 0.166 |
Total number of observations | 259037 | ||
Number of reflections | 38808 | 5907 | 3881 |
<I/σ(I)> | 9 | ||
Completeness [%] | 66.8 | 99.3 | 67 |
Redundancy | 6.7 | 6.9 | 6 |
CC(1/2) | 0.991 | 0.946 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG3350 and potassium sulfate |