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 |