6KBX
Crystal structure of yedK in complex with ssDNA containing 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 PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.092, 44.084, 54.731 |
Unit cell angles | 90.00, 101.69, 90.00 |
Refinement procedure
Resolution | 46.115 - 1.221 |
R-factor | 0.1557 |
Rwork | 0.155 |
R-free | 0.16470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kbs |
RMSD bond length | 0.005 |
RMSD bond angle | 0.920 |
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] | 50.000 | 50.000 | 1.260 |
High resolution limit [Å] | 1.220 | 2.630 | 1.220 |
Rmerge | 0.091 | 0.065 | 0.619 |
Rmeas | 0.098 | 0.071 | 0.691 |
Rpim | 0.038 | 0.027 | 0.299 |
Total number of observations | 416830 | ||
Number of reflections | 64468 | 6663 | 6072 |
<I/σ(I)> | 5.1 | ||
Completeness [%] | 98.8 | 99.5 | 93.6 |
Redundancy | 6.5 | 6.8 | 4.6 |
CC(1/2) | 0.995 | 0.676 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 293 | 0.2 M sodium formate, 20% PEG3350 |