8V1U
Human DNA Ligase I F872A bound to adenylated nicked DNA with a 5' terminal ribonucleotide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.986, 96.832, 114.661 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.870 - 2.000 |
R-factor | 0.1884 |
Rwork | 0.188 |
R-free | 0.21010 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.619 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmeas | 0.173 | |
Number of reflections | 54724 | 2745 |
<I/σ(I)> | 13.8 | |
Completeness [%] | 98.3 | 99.2 |
Redundancy | 5.8 | |
CC(1/2) | 0.508 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | MES pH5.5 100mM, Lithium acetate 500mM, PEG 3350 10% |