6AQV
Crystal Structure of Z-DNA with 6-fold Twinning_Z3B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-03-05 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.840, 42.570, 30.840 |
| Unit cell angles | 90.00, 120.05, 90.00 |
Refinement procedure
| Resolution | 26.710 - 1.300 |
| R-factor | 0.13183 |
| Rwork | 0.131 |
| R-free | 0.14742 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p4j |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.587 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.063 | 0.646 |
| Number of reflections | 17047 | 1685 |
| <I/σ(I)> | 23.5 | 2.5 |
| Completeness [%] | 99.2 | 97.9 |
| Redundancy | 7 | 6.4 |
| CC(1/2) | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 100 mM KCl, 10 mM MgCl2, Tris-HCl pH 8.5, 30% PEG 400 |
