9Z08
Isoreticular co-crystal 1 with asymmetrical expanded duplex (31mer) containing separate insert strand with sequence GACGGTAATT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2022-04-14 |
| Detector | RDI CMOS_8M |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 75.045, 133.505, 135.653 |
| Unit cell angles | 90.00, 96.08, 90.00 |
Refinement procedure
| Resolution | 37.310 - 4.220 |
| R-factor | 0.2413 |
| Rwork | 0.240 |
| R-free | 0.25370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.616 |
| 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] | 37.310 | 4.440 |
| High resolution limit [Å] | 4.220 | 4.220 |
| Rmerge | 0.089 | 1.300 |
| Rmeas | 0.126 | 1.839 |
| Rpim | 0.089 | 1.300 |
| Number of reflections | 19241 | 1042 |
| <I/σ(I)> | 3.51 | 0.76 |
| Completeness [%] | 97.6 | 86.56 |
| Redundancy | 1 | 1 |
| CC(1/2) | 0.996 | 0.465 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 10 mM Magnesium acetate, 1.3 M Lithium sulfate, 50 mM sodium cacodylate pH 6.5 |
