7MOO
L-type DNA containing 2'-fluoro-2'-deoxycytidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 99 |
| Detector technology | CCD |
| Collection date | 2021-03-14 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 65 |
| Unit cell lengths | 43.840, 43.840, 41.250 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.930 - 1.350 |
| R-factor | 0.18608 |
| Rwork | 0.184 |
| R-free | 0.22669 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7kw4 |
| RMSD bond length | 0.033 |
| RMSD bond angle | 3.396 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.920 | 1.390 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.083 | 1.645 |
| Rmeas | 0.085 | |
| Rpim | 0.018 | 0.371 |
| Number of reflections | 9914 | 718 |
| <I/σ(I)> | 20.4 | 2.2 |
| Completeness [%] | 99.2 | 97.5 |
| Redundancy | 19.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.6 | 291 | 0.01 M Magnesium chloride hexahydrate, 0.05 M MES monohydrate pH 5.6, 1.8 M Lithium sulfate monohydrate |
