4XIU
Binary complex structure of Klenow fragment of Taq DNA polymerase I707L mutant with DNA containing TTT overhang
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 110.030, 110.030, 90.670 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.640 - 2.500 |
| R-factor | 0.2261 |
| Rwork | 0.223 |
| R-free | 0.28610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ktq |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.377 |
| Data reduction software | HKL-2000 |
| Phasing software | PHASER (2.5.1) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.120 | |
| Total number of observations | 102057 | |
| Number of reflections | 21497 | |
| <I/σ(I)> | 11.55 | |
| Completeness [%] | 96.4 | 97.4 |
| Redundancy | 4.6 | 3.96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | PEG4000 |
