9Z1C
Isoreticular co-crystal 1 with asymmetrical expanded duplex (31mer) containing insert sequence CTAATTAGGC, crystal soaked in alternate solvent prior to diffraction
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 | 2025-04-13 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 72.720, 129.494, 131.285 |
| Unit cell angles | 90.00, 90.95, 90.00 |
Refinement procedure
| Resolution | 45.270 - 3.040 |
| R-factor | 0.3024 |
| Rwork | 0.300 |
| R-free | 0.32510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.541 |
| 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] | 46.090 | 3.250 |
| High resolution limit [Å] | 3.040 | 3.040 |
| Rmerge | 0.085 | 1.153 |
| Rmeas | 0.100 | 1.355 |
| Rpim | 0.053 | 0.706 |
| Number of reflections | 23207 | 4199 |
| <I/σ(I)> | 10.3 | 1.3 |
| Completeness [%] | 99.0 | 99.4 |
| Redundancy | 3.5 | 3.6 |
| CC(1/2) | 1.000 | 0.833 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 50mM Magnesium acetate, 1.5M Lithium sulfate, 50mM MES pH 6.5. The crystal was crosslinked with 33mg/mL EDC overnight, and then looped into a solution of 50mM potassium chloride, 4mM calcium chloride, 10% glycerol, and 10mM Tris hydrochloride. |
