3PO5
Structure of a mutant of the large fragment of DNA polymerase I from Thermus Auqaticus in complex with an abasic site 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 | 2010-04-22 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 109.301, 109.301, 90.318 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.330 - 2.390 |
| R-factor | 0.212 |
| Rwork | 0.210 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lwl |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.921 |
| 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 | 2.430 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.145 | |
| Number of reflections | 24927 | |
| <I/σ(I)> | 12.82 | 1.24 |
| Completeness [%] | 99.5 | |
| Redundancy | 9.04 | 5.61 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 291 | 0.05M Tris HCl, 0.2M NH4Cl, 0.01M CaCl2, 28% PEG 4000, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Tris HCl | ||
| 2 | 1 | 1 | NH4Cl | ||
| 3 | 1 | 1 | CaCl2 | ||
| 4 | 1 | 1 | PEG 4000 | ||
| 5 | 1 | 2 | Tris HCl | ||
| 6 | 1 | 2 | NH4Cl | ||
| 7 | 1 | 2 | CaCl2 | ||
| 8 | 1 | 2 | PEG 4000 |
