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 |