3PX6
Crystal Structure of Bacillus DNA Polymerase I Large Fragment Bound to DNA and ddCTP-dA Mismatch (tautomer) in Closed Conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 12.3.1 |
| Synchrotron site | ALS |
| Beamline | 12.3.1 |
| Detector technology | CCD |
| Collection date | 2010-10-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1158 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.460, 108.280, 149.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 87.747 - 1.590 |
| R-factor | 0.1857 |
| Rwork | 0.185 |
| R-free | 0.20710 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2HVI with insertion site base pair metal ions and protein residues 680-717 deleted |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.489 |
| 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 | 1.680 |
| High resolution limit [Å] | 1.590 | 4.760 | 1.590 |
| Rmerge | 0.074 | 0.044 | 0.564 |
| Number of reflections | 201565 | ||
| <I/σ(I)> | 17.61 | 40 | 3.2 |
| Completeness [%] | 99.0 | 99.2 | 99.9 |
| Redundancy | 8.3 |
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 |
