3RR8
Ternary Structure of the large fragment of Taq DNA polymerase bound to an abasic site and a ddGTP
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 | 2010-08-13 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0007 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 108.965, 108.965, 90.406 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.183 - 2.400 |
| R-factor | 0.2035 |
| Rwork | 0.201 |
| R-free | 0.25590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lwl |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.681 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX (dev_613) |
| Refinement software | PHENIX ((phenix.refine: dev_613)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.380 |
| Rmerge | 0.147 | 0.747 |
| <I/σ(I)> | 12.61 | 1.61 |
| Completeness [%] | 99.5 | 97.2 |
| Redundancy | 8.54 | 8.01 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.05 M Na cacodylate pH 6.5, 0.2 M NH4OAc, 0.01 M Mg(OAc)2, 25% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
