9YZD
Isoreticular co-crystal 1 with asymmetrical expanded duplex (31mer) containing insert sequence CTAATTAGGC
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 | 2024-12-06 |
| 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 | 45.290 - 3.090 |
| R-factor | 0.2546 |
| Rwork | 0.254 |
| R-free | 0.26450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.784 |
| 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] | 45.290 | 3.160 |
| High resolution limit [Å] | 3.090 | 3.090 |
| Rmerge | 0.099 | 0.913 |
| Rmeas | 0.118 | 1.080 |
| Rpim | 0.063 | 0.572 |
| Number of reflections | 23118 | 1365 |
| <I/σ(I)> | 7.4 | 1.1 |
| Completeness [%] | 96.9 | 99.4 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.973 | 0.779 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 30 mM Magnesium acetate, 1.3 M Lithium sulfate, 50 mM MES pH 6.5 |
