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 |