6AQX
Crystal Structure of Z-DNA with 6-fold Twinning_Z4B
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 | 35.200, 42.220, 35.210 |
| Unit cell angles | 90.00, 119.83, 90.00 |
Refinement procedure
| Resolution | 30.540 - 1.550 |
| R-factor | 0.2097 |
| Rwork | 0.209 |
| R-free | 0.22682 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p4j |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.883 |
| 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] | 31.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.069 | 0.493 |
| Number of reflections | 13145 | 1319 |
| <I/σ(I)> | 16 | 2.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.7 | 3.6 |
| CC(1/2) | 0.992 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 80 mM KCl, 20 mM MgCl2, 40 mM Na cacodylate pH 6.0, 12 mM spermine, 45% MPD |
