9HU3
PR1 phage heterodimeric DNA ligase in complex with 21-mer nicked DNA containing phage nick sequence
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2022-05-28 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 1.2832 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.146, 111.493, 117.215 |
| Unit cell angles | 90.00, 96.35, 90.00 |
Refinement procedure
| Resolution | 69.720 - 3.160 |
| R-factor | 0.2415 |
| Rwork | 0.238 |
| R-free | 0.29850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.629 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.1.5286)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 116.500 | 3.210 |
| High resolution limit [Å] | 3.160 | 3.160 |
| Rmerge | 0.057 | 0.703 |
| Number of reflections | 30827 | 1517 |
| <I/σ(I)> | 5.34 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.7 | 5.7 |
| CC(1/2) | 0.999 | 0.673 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 16% PEG 8000, 0.1M Bis-Tris pH 7.0 |
