6AQT
Crystal Structure of Z-DNA with 6-fold Twinning_Z3A
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 | 2015-02-11 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.9756 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.920, 42.890, 30.950 |
| Unit cell angles | 90.00, 119.98, 90.00 |
Refinement procedure
| Resolution | 26.810 - 1.050 |
| R-factor | 0.19527 |
| Rwork | 0.194 |
| R-free | 0.23102 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p4j |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.705 |
| 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 | 1.090 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.075 | 0.586 |
| Number of reflections | 32555 | 3031 |
| <I/σ(I)> | 21.7 | 1.6 |
| Completeness [%] | 99.0 | 93.3 |
| Redundancy | 5.9 | 2.8 |
| CC(1/2) | 0.740 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | Precipitant: 200 mM MgCl2, 50 mM Tris-HCl pH 7.0, 10% MPD. Well solution: 50% MPD |
