3PX0
Crystal Structure of Bacillus DNA Polymerase I Large Fragment Bound to DNA and dCTP-dA Mismatch (tautomer) 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 | 2010-07-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.910, 108.960, 150.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.242 - 1.730 |
| R-factor | 0.1965 |
| Rwork | 0.195 |
| R-free | 0.22360 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2HVI with insertion site base pair metal ions waters and protein residues 680-717 deleted |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.193 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.730 | 5.170 | 1.730 |
| Rmerge | 0.058 | 0.025 | 0.583 |
| Number of reflections | 157944 | ||
| <I/σ(I)> | 17.99 | 50.7 | 2.6 |
| Completeness [%] | 98.3 | 99.5 | 99.6 |
| Redundancy | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 290 | Ammonium Sulfate, MPD, MgSO4, MnSO4, 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 | ||
| 10 | 1 | 2 | MES | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | MgSO4 | ||
| 4 | 1 | 1 | MnSO4 | ||
| 5 | 1 | 1 | MES | ||
| 6 | 1 | 2 | Ammonium Sulfate | ||
| 7 | 1 | 2 | MPD | ||
| 8 | 1 | 2 | MgSO4 | ||
| 9 | 1 | 2 | MnSO4 |
