9BS4
DNA Ligase 1 E346A/E592A double mutant with 5'-rG:C
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 | 2023-02-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.288, 117.244, 101.558 |
Unit cell angles | 90.00, 96.71, 90.00 |
Refinement procedure
Resolution | 19.880 - 2.400 |
R-factor | 0.1915 |
Rwork | 0.190 |
R-free | 0.23710 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.596 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmeas | 0.173 | |
Rpim | 0.066 | 0.437 |
Number of reflections | 64604 | 3189 |
<I/σ(I)> | 17 | 1.625 |
Completeness [%] | 99.8 | |
Redundancy | 6.7 | |
CC(1/2) | 0.981 | 0.599 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.3 | 298.5 | 100mM MES pH 5.3, 18% PEG3350, 100mM Lithium acetate |