7RQT
THE B-DNA DODECAMER With HIGH RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 99 |
| Detector technology | CCD |
| Collection date | 2019-04-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.969 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.518, 40.239, 65.667 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.310 - 1.260 |
| R-factor | 0.2077 |
| Rwork | 0.206 |
| R-free | 0.23190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 355d |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.912 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.280 |
| High resolution limit [Å] | 1.260 | 3.420 | 1.260 |
| Rmerge | 0.057 | 0.037 | 0.503 |
| Rmeas | 0.060 | 0.039 | 0.527 |
| Rpim | 0.016 | 0.011 | 0.153 |
| Total number of observations | 253507 | ||
| Number of reflections | 18494 | 940 | 904 |
| <I/σ(I)> | 18.7 | ||
| Completeness [%] | 98.0 | 88.2 | 97 |
| Redundancy | 13.7 | 12.1 | 11.1 |
| CC(1/2) | 0.998 | 0.917 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298.15 | 2-Methyl-2,4-pentanedial, sodium cacodylate trihydrate, spermine tetrahydrochloride, sodium chloride, potassium chloride, magnesium chloride hexahydrate |
