9YZI
Isoreticular co-crystal 1 with asymmetrical expanded duplex (31mer) containing insert sequence CCCGGCCGGA
This is a non-PDB format compatible entry.
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 | 2025-06-30 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 74.898, 121.620, 138.045 |
| Unit cell angles | 90.00, 90.41, 90.00 |
Refinement procedure
| Resolution | 46.700 - 4.000 |
| R-factor | 0.2986 |
| Rwork | 0.296 |
| R-free | 0.32160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.886 |
| 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] | 46.700 | 4.470 |
| High resolution limit [Å] | 4.000 | 4.000 |
| Rmerge | 0.342 | 1.661 |
| Rmeas | 0.403 | 1.982 |
| Rpim | 0.211 | 1.067 |
| Number of reflections | 10367 | 2874 |
| <I/σ(I)> | 3.2 | 0.9 |
| Completeness [%] | 98.4 | 96.6 |
| Redundancy | 3.5 | 3.3 |
| CC(1/2) | 0.958 | 0.291 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 50 mM Magnesium acetate, 1.6 M Lithium sulfate, 50 mM MES pH 6.5 |
