9YZK
Isoreticular co-crystal 1 with symmetrical expanded duplex (42mer) containing insert sequence ACCCTTCTATGACCTACTCCA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-12 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 75.836, 163.022, 192.278 |
| Unit cell angles | 90.00, 98.61, 90.00 |
Refinement procedure
| Resolution | 47.530 - 5.100 |
| R-factor | 0.279 |
| Rwork | 0.276 |
| R-free | 0.30400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.865 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (2.0_5761) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.530 | 4.960 |
| High resolution limit [Å] | 4.440 | 4.440 |
| Rmerge | 0.119 | 5.581 |
| Rmeas | 0.142 | 6.708 |
| Rpim | 0.075 | 3.673 |
| Number of reflections | 14099 | 3944 |
| <I/σ(I)> | 4.1 | 0.2 |
| Completeness [%] | 98.4 | 97.7 |
| Redundancy | 3.4 | 3.1 |
| CC(1/2) | 0.997 | 0.196 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 60mM Magnesium acetate, 1.6M Lithium sulfate, 50mM MES pH 6.5 |
