3V6H
Replication of N2,3-Ethenoguanine by DNA Polymerases
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2011-08-07 |
| Detector | RAYONIX MX-300 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.532, 111.267, 98.942 |
| Unit cell angles | 90.00, 102.68, 90.00 |
Refinement procedure
| Resolution | 27.800 - 2.300 |
| R-factor | 0.218 |
| Rwork | 0.215 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2br0 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.249 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.6.0117) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.086 | 0.605 |
| Number of reflections | 48539 | |
| <I/σ(I)> | 17.2 | 2.4 |
| Completeness [%] | 98.2 | 86.5 |
| Redundancy | 5.1 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 293 | 200 uM Dpo4, 240 uM primer-template DNA complex, 5 mM MgCl2, 1 mM dCTP, 20 mM Tris-HCl (pH 7.4), 60 mM NaCl, 2% glycerol (v/v), and 5 mM -mercaptoethanol. Precipitant: 0.1M Tris-HCl (pH 7.4), 15% polyethylene glycol 3350 (w/v), 0.1 M Ca(CH3COO)2, and 2% glycerol (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 293K |
