3PY8
Crystal structure of a mutant of the large fragment of DNA polymerase I from thermus aquaticus in a closed ternary complex with DNA and ddCTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.072 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 108.610, 108.610, 90.570 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.738 - 1.740 |
| R-factor | 0.1707 |
| Rwork | 0.169 |
| R-free | 0.19930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.063 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: dev_572)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.000 | 1.920 | 1.790 |
| High resolution limit [Å] | 1.740 | 1.850 | 1.740 |
| Number of reflections | 80053 | ||
| <I/σ(I)> | 18.7 | 3.54 | 1.59 |
| Completeness [%] | 99.6 | 100 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 291 | 0.1M Hepes, 20mM MnCl2, 0.1M Na-acetate, 12 % PEG 4000, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Hepes | ||
| 2 | 1 | 1 | MnCl2 | ||
| 3 | 1 | 1 | Na-acetate | ||
| 4 | 1 | 1 | PEG 4000 | ||
| 5 | 1 | 2 | Hepes | ||
| 6 | 1 | 2 | MnCl2 | ||
| 7 | 1 | 2 | Na-acetate | ||
| 8 | 1 | 2 | PEG 4000 |
