4RZR
Bypass of a bulky adduct dG1,8 by DPO4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 193 |
| Detector technology | CCD |
| Collection date | 2013-10-11 |
| Detector | RAYONIX MX225HE |
| Spacegroup name | P 31 |
| Unit cell lengths | 56.397, 56.397, 288.776 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.230 - 2.200 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.294 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.140 | 0.830 |
| Number of reflections | 52026 | |
| <I/σ(I)> | 11.34 | 3.1 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 5.8 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 20 MM TRIS, 15% PEG3350, 60 MM SODIUM CHLORIDE, 5 MM CALCIUM CHLORIDE, 4% GLYCEROL, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
