9YZB
Isoreticular co-crystal 1 with symmetrical expanded duplex (31mer) containing insert sequence ACGGTAATTA
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 | 2022-06-08 |
| Detector | RDI CMOS_8M |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 75.528, 130.595, 135.529 |
| Unit cell angles | 90.00, 90.13, 90.00 |
Refinement procedure
| Resolution | 38.810 - 4.130 |
| R-factor | 0.2276 |
| Rwork | 0.225 |
| R-free | 0.25260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.663 |
| 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] | 38.810 | 4.350 |
| High resolution limit [Å] | 4.130 | 4.130 |
| Rmerge | 0.116 | 2.692 |
| Rmeas | 0.164 | 3.806 |
| Rpim | 0.116 | 2.692 |
| Number of reflections | 38587 | 4715 |
| <I/σ(I)> | 3.36 | 0.66 |
| Completeness [%] | 98.8 | 98.81 |
| Redundancy | 1 | 0.66 |
| CC(1/2) | 0.996 | 0.042 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 10 mM Magnesium acetate, 1.6M Lithium sulfate, 50 mM MES pH 6.5 |
