6KBZ
Crystal structure of yedK with ssDNA containing a tetrahydrofuran abasic site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-08 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.530, 111.391, 104.102 |
| Unit cell angles | 90.00, 96.14, 90.00 |
Refinement procedure
| Resolution | 36.265 - 1.653 |
| R-factor | 0.1617 |
| Rwork | 0.160 |
| R-free | 0.19610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6kbs |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.831 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
| Rmerge | 0.084 | 0.033 | 0.760 |
| Rmeas | 0.092 | 0.036 | 0.849 |
| Rpim | 0.036 | 0.013 | 0.371 |
| Total number of observations | 660240 | ||
| Number of reflections | 108392 | 10867 | 10777 |
| <I/σ(I)> | 5.6 | ||
| Completeness [%] | 99.0 | 97.8 | 98.4 |
| Redundancy | 6.1 | 6.8 | 4.8 |
| CC(1/2) | 0.999 | 0.460 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 293 | 0.02 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.5, 22% w/v Poly(acrylic acid sodium salt) 5,100 |
