4E59
Crystal structure of GCCGCCGC duplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9184 |
| Spacegroup name | H 3 |
| Unit cell lengths | 40.580, 40.580, 56.144 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.715 - 1.540 |
| R-factor | 0.2553 |
| Rwork | 0.255 |
| R-free | 0.30350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e58 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.290 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Number of reflections | 5101 | |
| <I/σ(I)> | 26.14 | 2.06 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.3 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 303 | magnesium acetate, MES and ammonium sulphate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 303K |
