9YZE
Isoreticular co-crystal 1 with asymmetrical expanded duplex (31mer) containing insert sequence TGATGAGCAG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-30 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 76.032, 124.855, 139.093 |
| Unit cell angles | 90.00, 91.85, 90.00 |
Refinement procedure
| Resolution | 45.860 - 4.070 |
| R-factor | 0.2494 |
| Rwork | 0.247 |
| R-free | 0.27570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.624 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.510 | 2.970 |
| High resolution limit [Å] | 2.820 | 2.820 |
| Rmerge | 0.796 | 0.731 |
| Rmeas | 0.945 | 0.886 |
| Rpim | 0.526 | 0.493 |
| Number of reflections | 26992 | 3349 |
| <I/σ(I)> | 2.2 | 1 |
| Completeness [%] | 92.5 | 78.7 |
| Redundancy | 3.2 | 2.9 |
| CC(1/2) | 0.954 | 0.373 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 20 mM Magnesium acetate, 300 mM Lithium sulfate, 50 mM MES pH 6.5 |
