3PO4
Structure of a mutant of the large fragment of DNA polymerase I from Thermus aquaticus in complex with a blunt-ended DNA and ddATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2009-05-23 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 113.525, 113.525, 91.238 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.200 - 1.800 |
| R-factor | 0.166 |
| Rwork | 0.164 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lwm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.088 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX (dev_572) |
| Refinement software | PHENIX ((phenix.refine: dev_572)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.072 | 0.767 |
| Number of reflections | 63101 | |
| <I/σ(I)> | 16.88 | 2.63 |
| Completeness [%] | 99.7 | 98.5 |
| Redundancy | 9.96 | 10.08 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.05M sodium cacodylate, 0.2M KCl, 0.1M Mg(OAc)2, 20% PEG 8000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | sodium cacodylate | ||
| 2 | 1 | 1 | KCl | ||
| 3 | 1 | 1 | Mg(OAc)2 | ||
| 4 | 1 | 1 | PEG 8000 | ||
| 5 | 1 | 2 | sodium cacodylate | ||
| 6 | 1 | 2 | KCl | ||
| 7 | 1 | 2 | Mg(OAc)2 | ||
| 8 | 1 | 2 | PEG 8000 |
