4N56
Binary complex structure of Klenow fragment of Taq DNA polymerase I707L mutant (Cs3C KlenTaq) with DNA
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 | 2013-03-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 110.040, 110.040, 91.290 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.650 - 2.200 |
R-factor | 0.22532 |
Rwork | 0.223 |
R-free | 0.27323 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ktq |
RMSD bond length | 0.013 |
RMSD bond angle | 1.715 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.650 | 2.257 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 32282 | |
<I/σ(I)> | 11.97 | 2.75 |
Completeness [%] | 98.5 | 98.6 |
Redundancy | 3.6 | 3.73 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 0.1 M HEPES, pH 7.5, 20 mM manganese chloride, 0.1 M sodium acetate, 10% w/v PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 289K |