3PV8
Crystal Structure of Bacillus DNA Polymerase I Large Fragment Bound to DNA and ddTTP-dA in Closed Conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Detector technology | CCD |
| Collection date | 2009-10-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97121 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.890, 109.300, 150.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.422 - 1.520 |
| R-factor | 0.1865 |
| Rwork | 0.185 |
| R-free | 0.21140 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2HVI with insertion site base pair metal ions and protein residues 681-727 deleted. |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.245 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 1.610 |
| High resolution limit [Å] | 1.520 | 4.540 | 1.520 |
| Rmerge | 0.069 | 0.036 | 0.492 |
| Number of reflections | 231085 | ||
| <I/σ(I)> | 14.94 | 38.4 | 4.2 |
| Completeness [%] | 97.5 | 97.7 | 95.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 290 | Ammonium Sulfate, MPD, MgSO4, MES, pH 5.8, vapor diffusion, hanging drop, temperature 290K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Ammonium Sulfate | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | MgSO4 | ||
| 4 | 1 | 1 | MES | ||
| 5 | 1 | 2 | Ammonium Sulfate | ||
| 6 | 1 | 2 | MPD | ||
| 7 | 1 | 2 | MgSO4 | ||
| 8 | 1 | 2 | MES |
