2DTU
Crystal structure of the beta hairpin loop deletion variant of RB69 gp43 in complex with DNA containing an abasic site analog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-08-19 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 133.074, 123.061, 164.564 |
| Unit cell angles | 90.00, 96.78, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.370 |
| Rwork | 0.223 |
| R-free | 0.26800 |
| Structure solution method | Isomorphous Replacement |
| Starting model (for MR) | 1RV2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.195 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.450 |
| High resolution limit [Å] | 2.370 | 5.100 | 2.370 |
| Rmerge | 0.082 | 0.071 | 0.410 |
| Number of reflections | 376279 | ||
| <I/σ(I)> | 16.4 | ||
| Completeness [%] | 96.8 | 99.6 | 80.6 |
| Redundancy | 5.2 | 5.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 293 | PEG 2000 MME, sodium acetate, magnesium sulfate, beta-mercaptoethanol, HEPES pH 7.1, glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 2000 | ||
| 2 | 1 | 1 | sodium acetate | ||
| 3 | 1 | 1 | magnesium sulfate | ||
| 4 | 1 | 1 | beta-mercaptoethanol | ||
| 5 | 1 | 1 | water | ||
| 6 | 1 | 2 | PEG 2000 | ||
| 7 | 1 | 2 | sodium acetate | ||
| 8 | 1 | 2 | magnesium sulfate | ||
| 9 | 1 | 2 | water |
