3PX4
Crystal Structure of Bacillus DNA Polymerase I Large Fragment Bound to DNA and ddCTP-dA Mismatch (wobble) in Ajar 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 | 2008-11-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1158 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.680, 109.190, 150.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.099 - 1.582 |
| R-factor | 0.212 |
| Rwork | 0.211 |
| R-free | 0.23910 |
| 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 | 0.008 |
| RMSD bond angle | 1.169 |
| 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] | 1.580 | 4.740 | 1.580 |
| Rmerge | 0.044 | 0.020 | 0.601 |
| Number of reflections | 200999 | ||
| <I/σ(I)> | 21.94 | 67 | 2.4 |
| Completeness [%] | 95.4 | 97.8 | 89.5 |
| Redundancy | 5.4 |
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 |
